Results for:
Species: Brevibacterium linens

Methanethiol

Mass-Spectra

Compound Details

Synonymous names
methanethiol
METHYL MERCAPTAN
Methylmercaptan
Mercaptomethane
74-93-1
Methyl sulfhydrate
Thiomethanol
Methanthiol
Thiomethyl alcohol
Metilmercaptano
Methvtiolo
Methylmercaptaan
Mercaptan methylique
Methaanthiol
Thiomethane
RCRA waste number U153
FEMA No. 2716
Methanethiole
CH3SH
methyl-mercaptan
Methyl thioalcohol
MeSH
UN 1064
2X8406WW9I
Methaanthiol [Dutch]
Methanthiol [German]
Methvtiolo [Italian]
Methylmercaptaan [Dutch]
Metilmercaptano [Italian]
Metilmercaptano [Spanish]
SCH 54292
Methyl mercaptan (natural)
Mercaptan methylique [French]
HSDB 813
EINECS 200-822-1
UN1064
RCRA waste no. U153
BRN 1696840
methylsulfanyl
methane thiol
methyl sulfides
methyl thiol
methyl-thiol
UNII-2X8406WW9I
(methyl)sulfane
Methylthioalcohol
a methyl thioether
sulfonium methylide
Methanethiol, purum
Methanethiol, 98.0%
METHANETHIOL [MI]
EC 200-822-1
Methanethiol, >=98.0%
4-01-00-01273 (Beilstein Handbook Reference)
METHYL MERCAPTAN [FHFI]
METHYL MERCAPTAN [HSDB]
DTXSID5026382
CHEBI:16007
CHEBI:86315
DTXSID10168842
DTXSID60992376
InChI=1/CH4S/c1-2/h2H,1H
NSC229573
AKOS009157032
NSC-229573
Methyl mercaptan [UN1064] [Poison gas]
NS00020025
C00409
Q409309
17719-48-1
Z22
Microorganism:

Yes

IUPAC namemethanethiol
SMILESCS
InchiInChI=1S/CH4S/c1-2/h2H,1H3
FormulaCH4S
PubChem ID878
Molweight48.11
LogP0.5
Atoms2
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thiols
CHEBI-ID16007
Supernatural-IDSN0213930

mVOC Specific Details

Boiling Point
DegreeReference
5.95 °C peer reviewed
Volatilization
The Henry's Law constant for methyl mercaptan is estimated as 0.0031 atm-cu m/mole(SRC) derived from its vapor pressure, 1,510 mm Hg(1), and water solubility, 15,400 mg/L(2). This Henry's Law constant indicates that methyl mercaptan is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 0.8 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 2.8 days(SRC). Methyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces is expected to occur(SRC). Methyl mercaptan is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure and because it is a gas a temperatures above 6 deg C(SRC). However, gaseous methyl mercaptan gas has been found to strongly adsorb to moist and dry soil surfaces suggesting that adsorption might be an environmental sink for methyl mercaptan(4). Therefore, the importance of volatilization from soil surfaces may be attenuated by adsorption(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Smith KA et al; Soil Sci 116: 313-9 (1973)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl mercaptan can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl mercaptan is expected to have very high mobility in soil. Gaseous methyl mercaptan has been observed to partition to soils(3). For example, when gaseous methyl mercaptan was passed over six air-dried and moist (50% field capacity) soils, 2.4-32.1 mg/g and 2.2-21.4 mg/g of methyl mercaptan rapidly adsorbed to the dry and moist soils, respectively(3). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(3); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous methyl mercaptan(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of July 19, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Smith KA et al; Soil Sci 116: 313-9 (1973)
Vapor Pressure
PressureReference
1,510 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAChippendale et al. 2014
ProkaryotaEscherichia ColiNANADolch et al. 2012
ProkaryotaPseudomonas AeruginosaNANADolch et al. 2012
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAScotter et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAScotter et al. 2006
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANACarroll et al. 2005
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaStreptococcus PyogenesNANAThorn et al. 2011
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANANA
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaBacillus AtrophaeusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
EukaryotaTuber Magnatumcollected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaAlpha Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaGamma Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaAlcaligenes Faecalisn/aNASchulz and Dickschat 2007
ProkaryotaDesulfovibrio Acrylicusn/aNASchulz and Dickschat 2007
ProkaryotaParasporobacterium Paucivoransn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaOenococcus Oenin/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Brevisn/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Hilgardiin/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Plantarumn/aNASchulz and Dickschat 2007
ProkaryotaPorphyromonas Gingivalisn/aNASchulz and Dickschat 2007
ProkaryotaFusobacterium Nucleatumn/aNASchulz and Dickschat 2007
ProkaryotaTreponema Denticolan/aNASchulz and Dickschat 2007
ProkaryotaCitrobacter Freundiin/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
EukaryotaTuber Magnatumn/aItalian geographical areas (Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
ProkaryotaPseudomonas PutidananaSchöller et al. 1997
ProkaryotaPseudomonas TolaasiinanaLo Cantore et al. 2015
ProkaryotaPseudomonas Putidanarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
ProkaryotaKlebsiella PneumoniaeNARees et al. 2016a
EukaryotaSchizophyllum Communen/aNAStotzky and Schenck 1976
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaPseudomonas Perolensnasterile fish muscle (Sebastes melanops)Miller et al. 1973
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBHIGC-MSno
ProkaryotaEscherichia ColiLBIMR-MSno
ProkaryotaPseudomonas AeruginosaLBIMR-MSno
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaPseudomonas selectiveSIFT-MSno
ProkaryotaPseudomonas AeruginosaBlood agarSIFT-MSno
ProkaryotaPseudomonas AeruginosaBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaStreptococcus PyogenesTYESIFT-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaNA media, TSA mediaHS-SPME/GC-MSno
ProkaryotaPaenibacillus PolymyxaTSA mediaHS-SPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
EukaryotaTuber MagnatumGC-MS-Ono
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaAlpha Proteobacterian/an/ano
ProkaryotaGamma Proteobacterian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaDesulfovibrio Acrylicusn/an/ano
ProkaryotaParasporobacterium Paucivoransn/an/ano
ProkaryotaLactococcus Sp.n/an/ano
ProkaryotaLactobacillus Sp.n/an/ano
ProkaryotaLactobacillus Lactisn/an/ano
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLactobacillus Brevisn/an/ano
ProkaryotaLactobacillus Hilgardiin/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPorphyromonas Gingivalisn/an/ano
ProkaryotaFusobacterium Nucleatumn/an/ano
ProkaryotaTreponema Denticolan/an/ano
ProkaryotaCitrobacter Freundiin/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaPseudomonas PutidaAB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MSno
ProkaryotaPseudomonas TolaasiiKBSPME-GCno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
ProkaryotaKlebsiella PneumoniaeLB GCxGC-TOF-MSno
EukaryotaSchizophyllum Communen/an/ano
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaPseudomonas PerolensTrypticase soil agar (BBL)GC/MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEnterobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEscherichia ColiLB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


S-methyl Pentanethioate

Compound Details

Synonymous names
S-Methyl pentanethioate
42075-43-4
Pentanethioic acid S-methyl ester
S-methyl pentane thioate
SCHEMBL2554932
DTXSID20338054
MWHCJABIXNVCHK-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC nameS-methyl pentanethioate
SMILESCCCCC(=O)SC
InchiInChI=1S/C6H12OS/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
FormulaC6H12OS
PubChem ID546060
Molweight132.23
LogP2
Atoms8
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno


S-methyl 2-methylpropanethioate

Compound Details

Synonymous names
S-Methyl 2-methylpropanethioate
42075-42-3
Methyl isobutanethioate
FEMA No. 4586
Propanethioic acid, 2-methyl-, S-methyl ester
C49X23N7M7
UNII-C49X23N7M7
S-methyl thioisobutyrate
SCHEMBL8581184
DTXSID20194915
MFCD22377272
AKOS025396852
Q27275169
Microorganism:

Yes

IUPAC nameS-methyl 2-methylpropanethioate
SMILESCC(C)C(=O)SC
InchiInChI=1S/C5H10OS/c1-4(2)5(6)7-3/h4H,1-3H3
FormulaC5H10OS
PubChem ID537722
Molweight118.2
LogP1.7
Atoms7
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno


S-methyl Propanethioate

Compound Details

Synonymous names
S-Methyl propanethioate
5925-75-7
s-methyl thiopropionate
Methyl THIOPROPIONATE
S-Methyl thiopropanoate
FEMA No. 4172
3WP1B49B1P
S-Methyl propanethioate [FHFI]
Propanethioic acid, S-methyl ester
Propionic acid, thio-, S-methyl ester
UNII-3WP1B49B1P
S-Methyl methylthiopropionate
S-METHYL PROPANTHIOATE
SCHEMBL1245998
1-(methylsulfanyl)propan-1-one
CHEBI:179441
DTXSID801020172
MFCD00040063
AKOS006272057
M3279
Q-100686
Q27258146
Microorganism:

Yes

IUPAC nameS-methyl propanethioate
SMILESCCC(=O)SC
InchiInChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
FormulaC4H8OS
PubChem ID521869
Molweight104.17
LogP1.1
Atoms6
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters
CHEBI-ID179441
Supernatural-IDSN0006443

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaChryseobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaJanthinobacterium Sp.Tryptic soy broth agarGC/MS-Q-TOFno
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


S-methyl 3-methylbutanethioate

Compound Details

Synonymous names
S-Methyl 3-methylbutanethioate
23747-45-7
S-Methyl isovalerate
Butanethioic acid, 3-methyl-, S-methyl ester
Methanethiol isovalerate
S-Methyl 3-methylthiobutyrate
s-methyl thioisovalerate
UB23WZ59H0
Fema 3864
UNII-UB23WZ59H0
EINECS 245-863-6
?S-Methyl isovalerate
METHYLTHIOL ISOVALERATE
S-Methyl thio-3-methylbutyrate
SCHEMBL3506127
DTXSID3066928
FEMA NO. 3864
CHEBI:89436
AKOS006288153
NS00050814
S-METHYL 3-METHYLBUTANETHIOATE [FHFI]
G71382
3-METHYL-1-(METHYLSULFANYL)BUTAN-1-ONE
A816883
BUTYRIC ACID, 3-METHYLTHIO-, S-METHYL ESTER
Q27161632
Microorganism:

Yes

IUPAC nameS-methyl 3-methylbutanethioate
SMILESCC(C)CC(=O)SC
InchiInChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
FormulaC6H12OS
PubChem ID90246
Molweight132.23
LogP1.9
Atoms8
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters
CHEBI-ID89436
Supernatural-IDSN0231856

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchulz and Dickschat 2007
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno


S-methyl Hexanethioate

Mass-Spectra

Compound Details

Synonymous names
S-Methyl hexanethioate
2432-77-1
S-Methyl thiohexanoate
Methanethiol caproate
Hexanethioic acid, S-methyl ester
MC7G128ACI
UNII-MC7G128ACI
EINECS 219-410-8
S-methyl thiocaproate
S-Methyl hexanethioate #
SCHEMBL3506754
DTXSID1062417
FEMA NO. 3862
methyl thiohexanoate, AldrichCPR
FEMA 3862
CHEBI:173386
S-METHYL HEXANETHIOATE [FHFI]
AKOS006277831
1-(METHYLSULFANYL)HEXAN-1-ONE
DB-221832
NS00021918
Q27283845
QRL
Microorganism:

Yes

IUPAC nameS-methyl hexanethioate
SMILESCCCCCC(=O)SC
InchiInChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
FormulaC7H14OS
PubChem ID75515
Molweight146.25
LogP2.6
Atoms9
Bonds5
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters
CHEBI-ID173386
Supernatural-IDSN0007817

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano


S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names
Methyl thiobutyrate
2432-51-1
S-Methyl butanethioate
S-Methyl thiobutyrate
BUTANETHIOIC ACID, S-METHYL ESTER
s-Methyl thiobutanoate
Methanethiol butyrate
Methyl thiolbutyrate
Butyric acid, thio-, S-methyl ester
Methanethiol n-butyrate
FEMA No. 3310
Methyl thiobutanoate
Methane n-thiolbutyrate
2P1E432MYZ
Thiobutyric Acid S-Methyl Ester
Methyl thiobutyrate (natural)
EINECS 219-407-1
UNII-2P1E432MYZ
1-(methylsulfanyl)butan-1-one
S-Methyl butanethioate #
S-Methyl thiobutanoate, 98%
SCHEMBL722981
DTXSID5047669
CHEBI:89255
FEMA 3310
METHYL THIOBUTYRATE [FCC]
METHYL THIOBUTYRATE [FHFI]
Methyl thiobutyrate, >=97%, FG
MFCD00009872
AKOS015950859
Methyl thiobutyrate, natural, 98%, FG
LS-13066
DB-046399
CS-0323899
M1818
NS00021916
D91533
J-800454
Q-100312
Q27161441
Microorganism:

Yes

IUPAC nameS-methyl butanethioate
SMILESCCCC(=O)SC
InchiInChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
FormulaC5H10OS
PubChem ID62444
Molweight118.2
LogP1.5
Atoms7
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters
CHEBI-ID89255
Supernatural-IDSN0113415

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces GriseusNARiu et al. 2022
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaAlcaligenes FaecalisnanaSu et al. 2016
ProkaryotaBacillus CereusnanaSu et al. 2016
ProkaryotaBrevibacterium EpidermidisnanaSu et al. 2016
ProkaryotaProteus PennerinanaSu et al. 2016
ProkaryotaProteus VulgarisnanaSu et al. 2016
ProkaryotaProvidencia RettgerinanaSu et al. 2016
ProkaryotaPseudochrobactrum AsaccharolyticumnanaSu et al. 2016
ProkaryotaThermomonospora FuscanasoilWilkins 1996
ProkaryotaStreptomyces GriseusnasoilWilkins 1996
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Griseusn/aNASchulz and Dickschat 2007
ProkaryotaThermomonospora Fuscan/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchulz and Dickschat 2007
ProkaryotaPseudochrobactrum SaccharolyticumNematicidal activitycow dungXU et al. 2015
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
ProkaryotaArthrobacter NicotianaeNematicidal activitycow dungXU et al. 2015
ProkaryotaAchromobacter XylosoxidansNematicidal activitycow dungXU et al. 2015
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces GriseusTSA mediaSPME/GC-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaAlcaligenes FaecalisLB mediumSPME-GC/MSno
ProkaryotaBacillus CereusLB mediumSPME-GC/MSno
ProkaryotaBrevibacterium EpidermidisLB mediumSPME-GC/MSno
ProkaryotaProteus PenneriLB mediumSPME-GC/MSno
ProkaryotaProteus VulgarisLB mediumSPME-GC/MSno
ProkaryotaProvidencia RettgeriLB mediumSPME-GC/MSno
ProkaryotaPseudochrobactrum AsaccharolyticumLB mediumSPME-GC/MSno
ProkaryotaThermomonospora FuscaNutrient agar CM3GC/MSno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaThermomonospora Fuscan/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaPseudochrobactrum SaccharolyticumLB liquidSPME-GC/MSno
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
ProkaryotaArthrobacter NicotianaeLB liquidSPME-GC/MSno
ProkaryotaAchromobacter XylosoxidansLB liquidSPME-GC/MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


S-methyl Ethanethioate

Compound Details

Synonymous names
S-Methyl thioacetate
1534-08-3
S-Methyl ethanethioate
Ethanethioic acid, S-methyl ester
Methylthioacetate
Methanethiol acetate
Thioacetic acid S-methyl ester
S-METHYLTHIOACETATE
Methyl thiolacetate
methyl ethanethioate
CH3C(O)SCH3
Acetic acid, thio-, S-methyl ester
PF2D4MWX79
1-(methylsulfanyl)ethan-1-one
Ethanethioic acid, methyl ester
UNII-PF2D4MWX79
AcSMe
EINECS 216-252-1
S-Methyl ethanethioate #
S-METHYLTHIOACETIC ACID
DTXSID3073264
FEMA NO. 3876
CHEBI:51280
FEMA 3876
S-Methyl thioacetate, AldrichCPR
S-METHYL THIOACETATE [FHFI]
MFCD00014989
AKOS006229807
CS-0154991
M2286
NS00021690
S-Methyl thioacetate, natural, >=96%, FG
D82067
InChI=1/C3H6OS/c1-3(4)5-2/h1-2H
EN300-7016730
Q-100182
Q27104783
Microorganism:

Yes

IUPAC nameS-methyl ethanethioate
SMILESCC(=O)SC
InchiInChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
FormulaC3H6OS
PubChem ID73750
Molweight90.15
LogP0.7
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationthioesters sulfur compounds
CHEBI-ID51280
Supernatural-IDSN0260357

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas RhizophilaNANAShestivska et al. 2015
ProkaryotaStenotrophomonas MaltophiliaNANAShestivska et al. 2015
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAFitzgerald et al. 2021
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Albusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaPseudomonas ChlororaphisnaRhizosphere of maize, Kiev region, UkrainePopova et al. 2014
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchulz and Dickschat 2007
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaThermoactinomyces VulgarisnasoilWilkins 1996
ProkaryotaStreptomyces GriseusnasoilWilkins 1996
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
ProkaryotaCollimonas Pratensisnarhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaClostridium Difficilenastool specimens, from patients infected with clostridium difficileKuppusami et al. 2015
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas RhizophilaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
EukaryotaCandida AlbicansTSBSPME/GC-MSno
EukaryotaCandida AlbicansYPDSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusBHISPME/GC-MSno
ProkaryotaStaphylococcus AureusTSBSPME/GC-MSno
ProkaryotaStaphylococcus AureusLBSPME/GC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
ProkaryotaStreptomyces AlbidoflavusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces RishiriensisEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AlbusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces CoelicolorEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces DiastatochromogenesEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces GriseusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HirsutusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces ThermoviolaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaPseudomonas ChlororaphisLB mediumSPME-GC/MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaCollimonas FungivoransHeadspace trapping/GC-MSno
ProkaryotaThermoactinomyces VulgarisNutrient agar CM3GC/MSno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
ProkaryotaCollimonas Pratensissand containing artificial root exudatesGC/MSno
ProkaryotaClostridium Difficilebrain heart infusion agar with 7% horse bloodPTR-ToF-MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno