Results for:
chemical Classification: Thioesters

S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names
Methanethiol butyrate
Methyl thiobutanoate
Methyl thiolbutyrate
GRLJIIJNZJVMGP-UHFFFAOYSA-N
Methane n-thiolbutyrate
Methanethiol n-butyrate
S-Methyl butanethioate
S-Methyl thiobutyrate
Butanethioic acid,S-methyl ester
S-Methyl butanethioate #
Thiobutyric Acid S-Methyl Ester
AC1L1X4T
Methyl thiobutyrate (natural)
BUTANETHIOIC ACID, S-METHYL ESTER
ACMC-209gaw
M1818
CTK4F3391
2P1E432MYZ
SCHEMBL722981
S-Methyl thiobutanoate, 98%
UNII-2P1E432MYZ
ZINC409240
ZB013888
S-(methyl thio) butyrate
DTXSID5047669
OR012310
CHEBI:89255
1-(methylsulfanyl)butan-1-one
ACM2432511
AN-20806
ANW-25398
Methyl thiobutyrate, >=97%, FG
FCH3464393
MFCD00009872
ZINC00409240
TC-114143
LS-179173
Q-100312
AKOS015950859
J-800454
FEMA No. 3310
Methyl thiobutyrate, natural, 98%, FG
Butyric acid, thio-, S-methyl ester
2432-51-1
EINECS 219-407-1
MolPort-003-929-056
IUPAC nameS-methyl butanethioate
SMILESCCCC(=O)SC
InchiInChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
FormulaC5H10OS
PubChem ID62444
Molweight118.19
LogP1.82
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaProvidencia Rettgeri YMF3·00150nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
BacteriaThermomonospora Fuscan/aSchulz and Dickschat, 2007
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaProvidencia Rettgeri YMF3·00150LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Griseusn/an/a
BacteriaThermomonospora Fuscan/an/a
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS


S-methyl 2-methylbutanethioate

Compound Details

Synonymous names
IAMIOPHEADLKFT-UHFFFAOYSA-N
S-Methyl2-methylthiobutyrate
Methylthio 2-methylbutyrate
S-Methyl 2-methylbutanethioate
S-METHYL 2-METHYLTHIOBUTYRATE
S-tropical 2-thiobutyrate
2-Methylbutanethioic acid S-methyl ester
AC1L22Z7
Methyl 2-methyl(thiobutyrate)
CTK4I5673
SCHEMBL3504471
OR269538
OR032241
FCH841118
3-(4-Aminobenzoyl)butyric acid
DB-003774
ACM42075456
AKOS006273084
FT-0693528
Butanethioic acid,2-methyl-, S-methyl ester
2-methyl-1-(methylsulfanyl)butan-1-one
Butanethioic acid, 2-methyl-, S-methyl ester
EINECS 255-648-9
42075-45-6
IUPAC nameS-methyl 2-methylbutanethioate
SMILESCCC(C)C(=O)SC
InchiInChI=1S/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
FormulaC6H12OS
PubChem ID65285
Molweight132.22
LogP2.37
Atoms20
Bonds19
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a


S-methyl Ethanethioate

Compound Details

Synonymous names
Methylthioacetate
Methyl thiolacetate
Methanethiol acetate
methyl ethanethioate
S-METHYLTHIOACETATE
OATSQCXMYKYFQO-UHFFFAOYSA-N
S-Methyl ethanethioate
S-Methyl thioacetate
AC1L2KFM
S-Methyl thioacetate, AldrichCPR
S-Methyl ethanethioate #
Thioacetic acid S-methyl ester
Ethanethioic acid, methyl ester
AC1Q68RR
ACMC-1BTZ5
PF2D4MWX79
KSC493A2H
Ethanethioic acid, S-methyl ester
UNII-PF2D4MWX79
M2286
CTK3J3023
CH3C(O)SCH3
FCH918358
OR031401
OR224946
OR224947
DTXSID3073264
ZINC2004049
CHEBI:51280
CJ-07327
1-(methylsulfanyl)ethan-1-one
AB1006061
AN-49402
CJ-30959
ZINC02004049
MFCD00014989
Ethanethioic acid,S-methyl ester (9CI)
RT-001199
Q-100182
I09-0174
AKOS006229807
FT-0659567
Acetic acid, thio-, S-methyl ester
S-Methyl thioacetate, natural, >=96%, FG
1534-08-3
EINECS 216-252-1
MolPort-006-113-372
InChI=1/C3H6OS/c1-3(4)5-2/h1-2H
IUPAC nameS-methyl ethanethioate
SMILESCC(=O)SC
InchiInChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
FormulaC3H6OS
PubChem ID73750
Molweight90.14
LogP0.68
Atoms11
Bonds10
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters Ester sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaPseudomonas Chlororaphis 450naRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaClostridium Difficile R002nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R005nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R013nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R014/R020nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R026nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R027nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R078nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R087nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
BacteriaClostridium Difficile R107nastool specimens, from patients infected with clostridium difficileKuppusami et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaLactococcus Lactisn/an/a
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Spp.n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaClostridium Difficile R002brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R005brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R013brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R014/R020brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R026brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R027brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R078brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R087brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo
BacteriaClostridium Difficile R107brain heart infusion agar with 7% horse bloodPTR-ToF-MSNo


S-methyl Hexanethioate

Mass-Spectra

Compound Details

Synonymous names
Methanethiol caproate
AKGAHYLJHAOPKQ-UHFFFAOYSA-N
S-Methyl hexanethioate
methyl thiohexanoate, AldrichCPR
S-Methyl thiohexanoate
QRL
AC1L2OXC
S-Methyl hexanethioate #
AC1Q68RX
MC7G128ACI
U833
Hexanethioic acid, S-methyl ester
UNII-MC7G128ACI
S-(methyl thio) hexanoate
LP004199
FCH847782
DTXSID1062417
SCHEMBL3506754
ZINC1841229
ACM2432771
1-(METHYLSULFANYL)HEXAN-1-ONE
I09-1878
AKOS006277831
2432-77-1
EINECS 219-410-8
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
LogP2.71
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a


S-methyl Benzenecarbothioate

Mass-Spectra

Compound Details

Synonymous names
methylthiobenzoate
thiobenzoic acid methylthioester
methylthiobenzoic acid
METHYLSULFANYL-PHENYL-METHANONE
S-Methyl benzenecarbothioate
methyl thiobenzoate
RQVWTMCUTHKGCM-UHFFFAOYSA-N
thiobenzoic acid methyl ester
S-Ethyl benzothioate
S-Methyl benzenecarbothioate #
S-methyl benzothioate
S-Methyl thiobenzoate
Benzenecarbothioicacid, S-methyl ester
TV2YT5FVUQ
UNII-TV2YT5FVUQ
(METHYLSULFANYL)(PHENYL)METHANONE
Thiobenzoic acid S-methyl ester
Benzenecarbothioic acid, S-methyl ester
AC1Q68RV
AC1L2YL7
(S)-Methyl thiobenzoate
CTK5A9665
SCHEMBL812709
ZINC401997
OR291024
OR040521
DTXSID20207978
ZINC00401997
AKOS024340621
Benzoic acid, thio-, S-methyl ester
MCULE-9793142271
5925-68-8
EINECS 227-656-2
IUPAC nameS-methyl benzenecarbothioate
SMILESCSC(=O)C1=CC=CC=C1
InchiInChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
FormulaC8H8OS
PubChem ID80024
Molweight152.21
LogP2.73
Atoms18
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters Benzenoids sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


S-methyl 3-methylbutanethioate

Compound Details

Synonymous names
Methanethiol isovalerate
S-Methylisovalerate
MPLWTJZAFOVXKP-UHFFFAOYSA-N
Methane thiol isovalerate; Methyl isopentanethioate
s-methyl thioisovalerate
methyl thio isovalerate
AC1L3JKR
S-Methyl 3-methylbutanethioate
S-Methyl 3-methylthiobutyrate
AC1Q68RW
3-Methylbutanethioic acid S-methyl ester
U810
UB23WZ59H0
UNII-UB23WZ59H0
Fema 3864
OR037950
OR245953
DTXSID3066928
SCHEMBL3506127
CHEBI:89436
ZINC5360197
KB-51861
AB1006105
I09-1132
AKOS006288153
FT-0659795
Butanethioic acid,3-methyl-, S-methyl ester
3-METHYL-1-(METHYLSULFANYL)BUTAN-1-ONE
Butanethioic acid, 3-methyl-, S-methyl ester
EINECS 245-863-6
23747-45-7
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
Molweight132.22
LogP2.11
Atoms20
Bonds19
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a
BacteriaStreptomyces Albidoflavusn/an/a


S-methyl Propanethioate

Compound Details

Synonymous names
METHYLTHIOPROPIONATE
AIILTVHCLAEMDA-UHFFFAOYSA-N
s-methyl thiopropionate
S-Methyl thiopropanoate
S-Methyl propanethioate
AC1LAW6I
Propanethioicacid, S-methyl ester
Propanethioic acid S-methyl ester
Propanethioic acid, S-methyl ester
3WP1B49B1P
S-Methyl propanethioate [FHFI]
CTK5A9666
UNII-3WP1B49B1P
FCH837873
SCHEMBL1245998
1-(methylsulfanyl)propan-1-one
ZINC32154765
Q-100686
AKOS006272057
FEMA No. 4172
Propionic acid, thio-, S-methyl ester
5925-75-7
IUPAC nameS-methyl propanethioate
SMILESCCC(=O)SC
InchiInChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
FormulaC4H8OS
PubChem ID521869
Molweight104.17
LogP1.38
Atoms14
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaStreptomyces Albidoflavusn/an/a


S-methyl 2-methylpropanethioate

Compound Details

Synonymous names
Methyl isobutanethioate
JODNYDRGCYHKRC-UHFFFAOYSA-N
S-Methyl2-methylpropanethioate
S-Methyl 2-methylpropanethioate
S-methyl 2-methylthiopropionate
AC1LBL41
AC1Q68RT
2-Methylpropanethioic acid S-methyl ester
CTK1D4981
C49X23N7M7
SCHEMBL8581184
UNII-C49X23N7M7
DTXSID20194915
AKOS025396852
FEMA No. 4586
Propanethioic acid, 2-methyl-, S-methyl ester
42075-42-3
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
Molweight118.19
LogP1.92
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a


S-methyl Pentanethioate

Compound Details

Synonymous names
MWHCJABIXNVCHK-UHFFFAOYSA-N
S-Methyl pentanethioate
AC1LC1AI
Pentanethioic acid S-methyl ester
Pentanethioic acid, S-methyl ester
CTK1D3450
LP088550
SCHEMBL2554932
1-(METHYLSULFANYL)PENTAN-1-ONE
DTXSID20338054
42075-43-4
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
Molweight132.22
LogP2.27
Atoms20
Bonds19
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a


Thiolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Thiobutyrolactone
@-THIOBUTYROLACTONE
2-oxotetrahydrothiophene
KMSNYNIWEORQDJ-UHFFFAOYSA-
KMSNYNIWEORQDJ-UHFFFAOYSA-N
Thiacyclopentanone-2
4-Butyrothiolactone
4-Thiobutyrolactone
Tetrahydro-2-thiophenone
Thiacyclopentan-2-one
.gamma.-Thiobutyrolactone
2-Oxothiolane
AC1L22MB
Thiolan-2-one
A3ERZ734SN
gamma-Thiobutyrolactone, 98%
UNII-A3ERZ734SN
CHEMBL56395
SCHEMBL13480
CTK8G3997
2-THIOPHENONE, TETRAHYDRO-
NSC54087
DTXSID3061390
Dihydro-2(3H)-thiophenone
SCHEMBL3630088
HE009423
HE261511
ZINC4501380
CHEBI:89059
NSC 54087
NSC-54087
LS-153236
Dihydro-2-(3H)-thiophenone
J-000094
AKOS028108379
FT-0633226
BRN 0105273
2(3H)-Thiophenone, dihydro-
1003-10-7
EINECS 213-700-8
MolPort-003-925-802
5-17-09-00012 (Beilstein Handbook Reference)
InChI=1/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
IUPAC namethiolan-2-one
SMILESC1CC(=O)SC1
InchiInChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
FormulaC4H6OS
PubChem ID13852
Molweight102.15
LogP0.8
Atoms12
Bonds12
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters ketones thiolactone

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


Bis(methylsulfanyl)methanone

Mass-Spectra

Compound Details

Synonymous names
bis(methylsulfanyl)methanone
IUXMJLLWUTWQFX-UHFFFAOYSA-
IUXMJLLWUTWQFX-UHFFFAOYSA-N
bis(methylthio)methanone
S,S'-Dimethyl dithiocarbonate
S,S?-Dimethyl dithiocarbonate
S,S-dimethyl carbonodithioate
S,S-Dimethyl dithiocarbonate
S,S inverted exclamation marka-Dimethyl dithiocarbonate
Carbonodithioic acid,S-dimethyl ester
AC1L7NIG
Dithiocarbonic Acid S,S'-Dimethyl Ester
Carbonodithioic acid S,S-dimethyl ester
Dithiocarbonic Acid S,S-Dimethyl Ester
Carbonodithioic acid, S,S-dimethyl ester
SCHEMBL41116
CTK3J5595
D2114
EBD47375
ACMC-209qc3
Carbonic acid, S,S-dimethyl ester
S,S'-Dimethyl dithiocarbonate, 97%
OR354168
OR014679
NSC227849
ZINC1757801
A841870
FCH2712539
DTXSID20310491
CJ-29709
ANW-38401
AN-47820
MFCD00144163
C-56497
TR-027049
NSC-227849
RTR-027049
AKOS015852527
FT-0655588
Carbonic acid, dithio-, S,S-dimethyl ester
868-84-8
EC 617-931-9
InChI=1/C3H6OS2/c1-5-3(4)6-2/h1-2H3
IUPAC namebis(methylsulfanyl)methanone
SMILESCSC(=O)SC
InchiInChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3
FormulaC3H6OS2
PubChem ID313474
Molweight122.2
LogP2.05
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor0
Chemical Classificationthioesters sulfur compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Magnatumn/aItalian geographical areas ( Piedmont, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


S-methyl Octanethioate

Compound Details

Synonymous names
UKPKZMMTLNIPKR-UHFFFAOYSA-N
S-Methyl octanethioate
S-Methyl thiooctanoate
AC1LC1XA
Octanethioic acid S-methyl ester
S-Methyl octanethioate #
Octanethioic acid, S-methyl ester
CTK0I7475
LP081838
SCHEMBL7937351
ZINC2141600
1-(METHYLSULFANYL)OCTAN-1-ONE
DTXSID50338103
AKOS024340623
2432-83-9
MCULE-5367178392
IUPAC nameS-methyl octanethioate
SMILESCCCCCCCC(=O)SC
InchiInChI=1S/C9H18OS/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
FormulaC9H18OS
PubChem ID546377
Molweight174.3
LogP3.6
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaSerratia Proteamaculans 94naspoiled meatPopova et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaSerratia Proteamaculans 94LB mediumSPME-GC/MSNo