Results for:
chemical Classification: sulfonyls

4-hydroxybenzenesulfonic Acid

Compound Details

Synonymous names
4-Hydroxybenzenesulfonic acid
98-67-9
p-Phenolsulfonic acid
phenolsulfonic acid
4-Phenolsulfonic acid
Sulfocarbolic acid
p-Sulfophenol
p-Hydroxybenzenesulfonic acid
Benzenesulfonic acid, 4-hydroxy-
4-HYDROXYPHENYLSULFONIC ACID
Phenol-4-sulfonic acid
Benzenesulfonic acid, p-hydroxy-
4-Sulfophenol
4-Hydroxybenzenesulphonic acid
Hydroxybenzene-4-sulfonic acid
p-Phenolsulfonate
NSC 227908
4-hydroxybenzene-1-sulfonic acid
para-phenolsulfonic acid
4-Hydroxybenzenesulfonic acid, 65% in Water
NSC-227908
L74LRO149A
DTXSID1046421
CHEBI:32354
Phenolsulfonic acid (JAN)
DTXCID9026421
PHENOLSULFONIC ACID [JAN]
CAS-98-67-9
HSDB 5319
NCGC00164534-01
NCGC00164534-02
EINECS 202-691-6
BRN 1869034
UNII-L74LRO149A
4-phenolsulfonic-acid
p-phenol sulfonic acid
4hydroxybenzenesulfonic acid
EC 202-691-6
p-Hydroxyphenylsulfonic acid
SCHEMBL18275
p-hydroxybenzenesulphonic acid
4-11-00-00582 (Beilstein Handbook Reference)
Phenol-4-sulfonic Acid Hydrate
CHEMBL1398657
P-PHENOLSULFONIC ACID [MI]
Tox21_112165
MFCD00007506
NSC227908
P-PHENOLSULFONIC ACID [HSDB]
STL280368
AKOS009159072
Tox21_112165_1
CS-W017509
DB14739
MCULE-9642506548
P-PHENOLSULFONIC ACID [WHO-DD]
PARA-PHENOLSULFONIC ACID [VANDF]
AM804627
AS-39421
BP-31158
4-Hydroxybenzenesulfonic Acid (85per cent)
NS00006802
P0104
EN300-36331
D01403
4-Hydroxybenzenesulfonic acid;p-Phenolsulfonic acid
Q1534677
W-100070
Microorganism:

No

IUPAC name4-hydroxybenzenesulfonic acid
SMILESC1=CC(=CC=C1O)S(=O)(=O)O
InchiInChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
FormulaC6H6O4S
PubChem ID4765
Molweight174.18
LogP0.2
Atoms11
Bonds1
H-bond Acceptor4
H-bond Donor2
Chemical Classificationaromatic compounds acids phenols sulfonyls benzenoids sulfur compounds
CHEBI-ID32354
Supernatural-IDSN0083605

mVOC Specific Details

Volatilization
The Henry's Law constant for 4-hydroxyphenylsulfonic acid is estimated as 2.62X10-13 atm-cu/mole(1,SRC). This indicates that 4-hydroxyphenylsulfonic acid will essentially not volatilize from water surfaces(2).
Literature: (1) Meylan W, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington, DC: Amer Chem Soc p. 15-15 to 15-29 (1990)
Solubility
MISCIBLE WITH WATER, ALCOHOL
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 1151
Soil Adsorption
Based on an estimated log Kow of -1.65(1), the Koc of 4-hydroxyphenylsulfonic acid is estimated as approximately 3.0 using a regression-derived equation(2,SRC). According to a suggested classification scheme, this estimated Koc value suggests that 4-hydroxyphenylsulfonic acid has very high mobility in soil(3).
Literature: (1) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Piedmont)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

Compound Details

Synonymous names
(2S)-Bornane-10,2-sultam
108448-77-7
(2R)-Bornane-10,2-sultam
94594-90-8
153153-41-4
(1R)-(+)-2,10-Camphorsultam
(+)-10,2-Camphorsultam
(-)-10,2-Camphorsultam
10,10-Dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.0,1,5]decane-3,3-dione
10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
(1S)-(-)-2,10-Camphorsultam
MFCD00066271
bornane-10,2-sultam
D-2,10-Camphorsultam
MLS000547527
SCHEMBL685973
CHEMBL1536595
DPJYJNYYDJOJNO-UHFFFAOYSA-N
HMS2279P14
4-PIVALAMIDOPHENYLBORONICACID
8,8-Dimethylhexahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
STL325060
AKOS015964038
AB88148
AC-5704
MCULE-8812725595
SMR000113261
SY004517
SY004518
DB-011639
EN300-295953
J-002145
8,8-dimethylhexahydro-3a,6-methano-2,1-benzothiazole 2,2-dioxide
10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0~1,5~]decane3,3-dioxide
10,10-DIMETHYL-3??-THIA-4-AZATRICYCLO[5.2.1.0(1),?]DECANE-3,3-DIONE
(1R)-(+)-2,10-Camphorsultam; [3aR-(3aalpha,6alpha,7abeta)]-Hexahydro-8,8-dimethyl-2,2-dioxide-3H-3a,6-methano-2,1-benzisothiazole
(1S)-(-)-2,10-Camphorsultam; [3aS-(3aalpha,6alpha,7abeta)]-Hexahydro-8,8-dimethyl-2,2-dioxide-3H-3a,6-methano-2,1-benzisothiazole;(-)-10,2-Camphorsultam
Microorganism:

Yes

IUPAC name10,10-dimethyl-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCC1(C2CCC13CS(=O)(=O)NC3C2)C
InchiInChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3
FormulaC10H17NO2S
PubChem ID145454
Molweight215.31
LogP1.5
Atoms14
Bonds0
H-bond Acceptor3
H-bond Donor1
Chemical Classificationsulfur compounds sulfonyls terpenes nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


4-(2-aminoethyl)benzenesulfonyl Fluoride

Compound Details

Synonymous names
4-(2-Aminoethyl)benzenesulfonyl fluoride
34284-75-8
AEBSF
4-(2-Aminoethyl)benzenesulfonylfluoride
4-(2-aminoethyl)benzene-1-sulfonyl fluoride
Benzenesulfonyl fluoride, 4-(2-aminoethyl)-
F5D36L5354
AES
4-beta-Aminoethylbenzolsulfofluoride
CHEMBL1256178
SR-01000075690
ABSF
Lopac-A-8456
Lopac0_000132
SCHEMBL77781
CHEMBL1096339
UNII-F5D36L5354
DTXSID40187844
BDBM50398077
CCG-204227
DB07347
SDCCGSBI-0050120.P002
NCGC00015097-01
NCGC00015097-02
NCGC00015097-03
NCGC00015097-12
NCGC00162071-01
PD005322
NS00015316
[4-(2-Aminoethyl)-benzenesulphonyl fluoride]
G22633
EN300-1581783
Q290992
BENZENESULFONYL FLUORIDE, P-(2-AMINOETHYL)-
SR-01000075690-6
Microorganism:

Yes

IUPAC name4-(2-aminoethyl)benzenesulfonyl fluoride
SMILESC1=CC(=CC=C1CCN)S(=O)(=O)F
InchiInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
FormulaC8H10FNO2S
PubChem ID1701
Molweight203.24
LogP1.7
Atoms13
Bonds3
H-bond Acceptor4
H-bond Donor1
Chemical Classificationaromatic compounds nitrogen compounds sulfur compounds benzenoids amines halogenated compounds sulfonyls
Supernatural-IDSN0225208

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


Methylsulfonylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names
2949-92-0
S-Methyl methanethiosulfonate
Methyl methanethiosulfonate
S-Methyl methanesulfonothioate
Methyl methanethiolsulfonate
Methanesulfonothioic acid, S-methyl ester
s-methyl methanethiolsulfonate
methylsulfonylsulfanylmethane
Methanethiosulfonic Acid S-Methyl Ester
Methyl methanesulfonothioate
S-Methyl methanethiosulphonate
(METHANESULFONYLSULFANYL)METHANE
dimethyl thiosulfonate
METHANESULFONIC ACID, THIO-, S-METHYL ESTER
Methyl Methanethiosulfonate-d3
methylmethanethiosulfonate
methyl methanethiolsulfate
s-methyl methylthiosulfonate
55800-37-8
CHEBI:74357
NSC21545
NSC-21545
Methanethiosulfonic acid, S-methyl ester
0906Z2356U
S-Methyl thiomethanesulfonate
CCRIS 7217
EINECS 220-970-0
NSC 21545
s-methylmethanethiosulfonate
BRN 1446059
METHYL METHANETHIO-SULFONATE
UNII-0906Z2356U
MeSSO2Me
MFCD00007565
methyl methanethiol sulfonate
methyl methanethiol-sulfonate
methylsulfonylsulfanyl-methane
s-methyl methanethionsulfonate
4-04-00-00031 (Beilstein Handbook Reference)
SCHEMBL136797
CHEMBL1236925
DTXSID8062739
S-Methyl methanethiosulfonate, 97%
BBL104000
STL557811
AKOS006221195
CS-W004461
MCULE-2094653694
METHYL METHANETHIOSULFONATE, S-
METHYL METHANETHIOSULPHONATE, S-
MS-20744
PD195134
A5499
AM20080910
M1382
NS00022002
EN300-132006
H10854
S-Methyl methanethiosulfonate, analytical standard
J-017549
InChI=1/C2H6O2S2/c1-5-6(2,3)4/h1-2H
Q27144634
S-Methyl methanethiosulfonate, purum, >=98.0% (GC)
Methyl methanethiolsulfonate;S-Methyl methanethiolsulfonate
inverted exclamation markY97.0%(GC),contains 5%-10%CH2Cl2 and HAc as stabilizer
Microorganism:

Yes

IUPAC namemethylsulfonylsulfanylmethane
SMILESCSS(=O)(=O)C
InchiInChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
FormulaC2H6O2S2
PubChem ID18064
Molweight126.2
LogP0
Atoms6
Bonds1
H-bond Acceptor3
H-bond Donor0
Chemical Classificationsulfur compounds sulfonyls
CHEBI-ID74357
Supernatural-IDSN0443546

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaLoktanella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaDinoroseobacter Shibaen/aNASchulz and Dickschat 2007
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_4
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaBurkholderia Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
EukaryotaFusarium Sp.NADickschat et al. 2011
EukaryotaPenicillium Sp.NACitron et al. 2012
ProkaryotaPseudomonas Chlororaphisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Jesseniinaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaBurkholderia Ambifarian/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
EukaryotaFusarium Sp.no
EukaryotaPenicillium Sp.no
ProkaryotaPseudomonas ChlororaphisLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractn/ano


2-oxoethanesulfonic Acid

Compound Details

Synonymous names
Sulfoacetaldehyde
2-oxoethanesulfonic acid
32797-12-9
2-Sulfoacetaldehyde
2-Oxoethane-1-sulfonic acid
Ethanesulfonic acid, 2-oxo-
SCHEMBL639617
CHEBI:17717
DTXSID50186464
C00593
Q27102552
Microorganism:

Yes

IUPAC name2-oxoethanesulfonic acid
SMILESC(C=O)S(=O)(=O)O
InchiInChI=1S/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)
FormulaC2H4O4S
PubChem ID160226
Molweight124.12
LogP-1.4
Atoms7
Bonds2
H-bond Acceptor4
H-bond Donor1
Chemical Classificationaldehydes sulfur compounds sulfonyls
CHEBI-ID17717
Supernatural-IDSN0174693

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaAcinetobacter Calcoaceticusn/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaAcinetobacter Calcoaceticusn/an/ano


Methylsulfonylmethane

Mass-Spectra

Compound Details

Synonymous names
Dimethyl sulfone
Methyl sulfone
67-71-0
Methylsulfonylmethane
DIMETHYLSULFONE
Dimethyl sulphone
Sulfonylbismethane
Methane, sulfonylbis-
sulfonyldimethane
(methylsulfonyl)methane
Sulphonylbismethane
Methylsulfonyl methane
METHANESULFONYLMETHANE
METHYL SULFONYL METHANE
DMSO2
NSC 63345
9H4PO4Z4FT
CHEMBL25028
Methane, 1,1'-sulfonylbis-
CHEBI:9349
DTXSID4043937
NSC-63345
methylsulfone
CCRIS 2938
EINECS 200-665-9
UNII-9H4PO4Z4FT
dimethylsulfon
dimethylsulphone
methy sulfone
methyl sulphone
AI3-25306
Lignisul MSM
Sulfonylbis-methane
Opti MSM
Sulfone, dimethyl-
MFCD00007566
(methylsulphonyl)methane
Dimethyl sulfone, 98%
METHOSULFONYLMETHANE
MolMap_000019
DIMETHYL SULFONE [MI]
SPECTRUM1505358
DIMETHYL SULFONE [INCI]
DTXCID2023937
DIMETHYL SULFONE [MART.]
AMY25756
HY-Y1314
NSC63345
METHYLSULFONYLMETHANE [VANDF]
Tox21_303712
BDBM50026473
METHYLSULFONYLMETHANE [USP-RS]
METHYLSULFONYLMETHANE [WHO-DD]
AKOS015897615
CCG-214558
DB14090
MCULE-3320409932
CAS-67-71-0
NCGC00095990-01
NCGC00357027-01
DB-050533
MYTHYLSULFONYLMETHANE (MSM) [VANDF]
CS-0017786
M0509
M1239
NS00006500
EN300-79559
D70240
InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H
A835859
Q423842
DIMETHYL SULFOXIDE IMPURITY A [EP IMPURITY]
F0001-1776
Z417007936
Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R)
Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard
Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namemethylsulfonylmethane
SMILESCS(=O)(=O)C
InchiInChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
FormulaC2H6O2S
PubChem ID6213
Molweight94.14
LogP-0.4
Atoms5
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfones sulfur compounds sulfonyls
CHEBI-ID9349
Supernatural-IDSN0126036

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
ProkaryotaBacillus Subtilisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus SubtilisNAMülner et al. 2020
ProkaryotaBacillus Atrophaeusgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensNAMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus Velezensisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus LicheniformisNAMülner et al. 2020
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPaenibacillus PolymyxaNA mediaHS-SPME/GC-MSno
ProkaryotaBacillus Subtilisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno
ProkaryotaCollimonas FungivoransHeadspace trapping/GC-MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno


Quinoline-4-sulfonic Acid

Compound Details

Synonymous names
Quinoline-4-sulfonic Acid
6046-42-0
4-Quinolinesulfonic acid
4-Quinolinesulfonic acid, AldrichCPR
dimethyltetrasulfide
Quinoline-4-sulfonicAcid
SCHEMBL11166296
DTXSID20403539
MFCD03426331
AKOS027381182
MCULE-1916309184
DB-072798
CS-0258117
EN300-69141
Z1079443330
Microorganism:

Yes

IUPAC namequinoline-4-sulfonic acid
SMILESC1=CC=C2C(=C1)C(=CC=N2)S(=O)(=O)O
InchiInChI=1S/C9H7NO3S/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,11,12,13)
FormulaC9H7NO3S
PubChem ID4462285
Molweight209.22
LogP-0.3
Atoms14
Bonds1
H-bond Acceptor4
H-bond Donor1
Chemical Classificationsulfur compounds aromatic compounds benzenoids quinolines nitrogen compounds sulfonyls

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMyxobacterium Sp.n/aNADickschat et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMyxobacterium Sp.n/an/ano


1,1-dioxothiolan-3-ol

Compound Details

Synonymous names
13031-76-0
3-Hydroxysulfolane
1,1-dioxothiolan-3-ol
Tetrahydrothiophene-3-ol 1,1-dioxide
Sulfolan-3-ol
3-hydroxytetrahydrothiophene 1,1-dioxide
3-HYDROXYTETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
3-Oxysulfolan
Sulfonan-3-ol
Thiophene-3-ol, tetrahydro-, 1,1-dioxide
MFCD00154867
3-Hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dione
3-HYDROXY-1??-THIOLANE-1,1-DIONE
NSC 147314
BRN 0002351
AI3-34690
3-Hydroxysulpholane
Tetrahydrothiophene-3-ol 1,1-Dioxide; 3-Hydroxysulfolane; 3-Hydroxythiolane 1,1-Dioxide; NSC 147314;
NSC147314
3-Hydroxytetrahydrothiophene1,1-dioxide
5-17-03-00066 (Beilstein Handbook Reference)
SCHEMBL1195382
CHEMBL3544507
AMXKVIWWXBYXRS-UHFFFAOYSA-N
DTXSID701315944
ALBB-027898
BBL028289
STK776259
Tetrahydrothiophen-3-ol 1,1-dioxide
tetrahydrothiophene-3-ol-1,1-dioxide
AKOS000269555
AKOS016039473
CS-W017755
NSC-147314
3-hydroxy-1lambda6-thiolane-1,1-dione
Tetrahydro-3-thiophenol 1,1-dioxide #
3-thiopheneol, tetrahydro-, 1,1-dioxide
AS-47620
SY122163
DB-006470
3-HYDROXY-1LAMBDA6-THIOLANE-11-DIONE
EN300-59616
F14685
A806066
Z57161902
F1294-0029
Microorganism:

Yes

IUPAC name1,1-dioxothiolan-3-ol
SMILESC1CS(=O)(=O)CC1O
InchiInChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2
FormulaC4H8O3S
PubChem ID98932
Molweight136.17
LogP-0.9
Atoms8
Bonds0
H-bond Acceptor3
H-bond Donor1
Chemical Classificationsulfur compounds sulfonyls heterocyclic compounds alcohols

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


Thiolane 1,1-dioxide

Compound Details

Synonymous names
SULFOLANE
126-33-0
Tetramethylene sulfone
Tetrahydrothiophene 1,1-dioxide
Sulfolan
1,1-Dioxothiolan
Sulpholane
Thiophene, tetrahydro-, 1,1-dioxide
Sulphoxaline
Sulfalone
thiolane 1,1-dioxide
Dioxothiolan
Thiophan sulfone
Bondelane A
Bondolane A
Thiophane dioxide
Thiacyclopentane dioxide
Cyclotetramethylene sulfone
Tetrahydrothiophene dioxide
Thiolane-1,1-dioxide
Dihydrobutadiene sulfone
Cyclic tetramethylene sulfone
1,1-Dioxidetetrahydrothiophene
Dihydrobutadiene sulphone
1,1-Dioxidetetrahydrothiofuran
Tetrahydrothiophene 1-dioxide
Thiocyclopentane-1,1-dioxide
2,3,4,5-Tetrahydrothiophene-1,1-dioxide
NSC 46443
Tetrahydrothiofen-1,1-dioxid
DTXSID3027037
MFCD00005484
Y5L06AH4G5
CHEBI:74794
NSC-46443
1-Thiolane-1,1-dione
28452-93-9
Bondelane A; Bondolane A; Cyclic tetramethylene sulfone; Cyclotetramethylene sulfone; NSC 46443
CCRIS 2310
HSDB 122
tetrahydro-thiophene-1,1-dioxide
EINECS 204-783-1
Tetrahydrothiofen-1,1-dioxid [Czech]
1??-thiolane-1,1-dione
BRN 0107765
sulpholan
UNII-Y5L06AH4G5
AI3-09541
tetramethylenesulfone
tetramethylene sufone
tetramethylenesulphone
Sulfolane, 99%
tetramethylene-sulfone
tetramethylene sulphone
tetramethylene-sulphone
TETRAHYDROTHIOPHENE-1,1-DIOXIDE
CYCLOBUTYLSULFONE
Thiophane 1,1-dioxide
SULFOLANE [MI]
SULFOLANE [HSDB]
WLN: T5SWTJ
EC 204-783-1
SULFOLANE [USP-RS]
SCHEMBL14301
5-17-01-00039 (Beilstein Handbook Reference)
Sulfolane, analytical standard
1lambda6-thiolane-1,1-dione
Tetrahydothiophene-1,1-dioxide
tetrahydrothiophen-1,1-dioxide
tetrahydrothiophene-S,S-dioxide
DTXCID407037
1,1-Dioxide tetrahydrothiofuran
CHEMBL3186899
(CH2)4SO2
Sulfolane, redistilled from glass
tetra-hydrothiophene-1,1-dioxide
Tetrahydrothiophene, 1,1-dioxide
AMY33385
NSC46443
Thiophene, 1,1-dioxide-tetrahydro-
Tox21_200628
STL268898
AKOS002676003
AKOS015955444
Residual Solvent Class 2 - Sulfolane
Sulfolane, purum, >=98.0% (GC)
2,4,5-Tetrahydrothiophene-1,1-dioxide
NCGC00248771-01
NCGC00258182-01
CAS-126-33-0
PS-11978
DB-038059
CS-0020029
NS00001349
T0115
EN300-18394
D78046
Q416239
W-108395
F1294-0027
InChI=1/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H
QXB
Microorganism:

No

IUPAC namethiolane 1,1-dioxide
SMILESC1CCS(=O)(=O)C1
InchiInChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
FormulaC4H8O2S
PubChem ID31347
Molweight120.17
LogP-0.8
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds sulfonyls
CHEBI-ID74794
Supernatural-IDSN0138111

mVOC Specific Details

Boiling Point
DegreeReference
285 °C peer reviewed
Volatilization
The Henry's Law constant for sulfolane is estimated as 4.8X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that sulfolane is expected to volatilize from water surfaces(2). 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)(2) is estimated as 6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 64 days(SRC). Sulfolane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Sulfolane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure 0.0062 mm Hg(3).
Soil Adsorption
Sulfolane exhibited very high mobility in batch adsorption experiments using aquifer material from 3 natural gas plants in Canada(1). In each experiment, the soil adsorption isotherms were linear and the soil adsorption coefficient (Kd) of sulfolane was very low (Kd < 1). The corresponding Koc values in these low organic (0.2-0.9% organic carbon) materials were in the range of 4-35. The Koc value of sulfolane using a humus rich soil (pH = 6.9, 3.6% organic carbon) was 3(1). According to a classification scheme(2), this range of Koc values suggests that sulfolane is expected to have very high mobility in soil(SRC).
Vapor Pressure
PressureReference
0.0062
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


4-methylbenzene-1,3-disulfonyl Chloride

Compound Details

Synonymous names
Toluene-2,4-disulfonyl chloride
2767-77-3
4-methylbenzene-1,3-disulfonyl dichloride
NSC49753
4-methylbenzene-1,3-disulfonyl chloride
SCHEMBL251516
DTXSID20950316
CLMMQDZNOXYEBU-UHFFFAOYSA-N
NSC-49753
4-methylbenzene-1,3-disulfonyldichloride
4-Methyl-1,3-benzenedisulfonyl dichloride
1,3-Benzenedisulfonyl dichloride, 4-methyl-
EN300-154754
Microorganism:

No

IUPAC name4-methylbenzene-1,3-disulfonyl chloride
SMILESCC1=C(C=C(C=C1)S(=O)(=O)Cl)S(=O)(=O)Cl
InchiInChI=1S/C7H6Cl2O4S2/c1-5-2-3-6(14(8,10)11)4-7(5)15(9,12)13/h2-4H,1H3
FormulaC7H6Cl2O4S2
PubChem ID241860
Molweight289.2
LogP2.3
Atoms15
Bonds2
H-bond Acceptor4
H-bond Donor0
Chemical Classificationchlorides halogenated compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


Dimethyl 5-(4-methoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate

Compound Details

Synonymous names
Maybridge4_001803
Oprea1_014694
Oprea1_248093
SEOMFGCOXRQQMR-UHFFFAOYSA-N
HMS1526B21
AKOS001593385
CCG-238544
NCGC00177242-01
BRD-A56391917-001-01-3
Dimethyl 5-(4-methoxyphenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide
Dimethyl 5-(4-methoxyphenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide #
1,3-Dithiane-4,6-dicarboxylic acid, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide, dimethyl ester
Microorganism:

No

IUPAC namedimethyl 5-(4-methoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
SMILESCOC1=CC=C(C=C1)C2C(S(=O)(=O)CS(=O)(=O)C2C(=O)OC)C(=O)OC
InchiInChI=1S/C15H18O9S2/c1-22-10-6-4-9(5-7-10)11-12(14(16)23-2)25(18,19)8-26(20,21)13(11)15(17)24-3/h4-7,11-13H,8H2,1-3H3
FormulaC15H18O9S2
PubChem ID609560
Molweight406.4
LogP0.5
Atoms26
Bonds6
H-bond Acceptor9
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters ethers heterocyclic compounds sulfonyls sulfur compounds
Supernatural-IDSN0343355

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


3-methyl-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole

Compound Details

Synonymous names
Perhydroindole, 3-methyl-1-[(4-methylphenyl)sulfonyl]
WLIXXTLHACHDDD-UHFFFAOYSA-N
3-Methyl-1-[(4-methylphenyl)sulfonyl]octahydro-1H-indole #
Microorganism:

Yes

IUPAC name3-methyl-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC1CN(C2C1CCCC2)S(=O)(=O)C3=CC=C(C=C3)C
InchiInChI=1S/C16H23NO2S/c1-12-7-9-14(10-8-12)20(18,19)17-11-13(2)15-5-3-4-6-16(15)17/h7-10,13,15-16H,3-6,11H2,1-2H3
FormulaC16H23NO2S
PubChem ID619597
Molweight293.4
LogP3.7
Atoms20
Bonds2
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids heterocyclic compounds nitrogen compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


Ethyl 3-methylsulfonyl-6-(trifluoromethyl)phenanthrene-9-carboxylate

Compound Details

Synonymous names
TWSAUDSFCGABMO-UHFFFAOYSA-N
Ethyl 3-methylsulfonyl-6-trifluoromethylphenanthrene-9-carboxylate
Ethyl 3-(methylsulfonyl)-6-(trifluoromethyl)-9-phenanthrenecarboxylate #
Microorganism:

No

IUPAC nameethyl 3-methylsulfonyl-6-(trifluoromethyl)phenanthrene-9-carboxylate
SMILESCCOC(=O)C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)S(=O)(=O)C)C(F)(F)F
InchiInChI=1S/C19H15F3O4S/c1-3-26-18(23)17-8-11-4-6-13(27(2,24)25)10-15(11)16-9-12(19(20,21)22)5-7-14(16)17/h4-10H,3H2,1-2H3
FormulaC19H15F3O4S
PubChem ID633888
Molweight396.4
LogP4.8
Atoms27
Bonds4
H-bond Acceptor7
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters halogenated compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


Methyl 3-[[(E)-2-tert-butylsulfonyl-2-cyanoethenyl]amino]thiophene-2-carboxylate

Compound Details

Synonymous names
MLS000859272
CHEMBL1360314
YMXNGSCUHAJUSI-CMDGGOBGSA-N
HMS1527J05
HMS2793G22
CCG-51725
NCGC00176688-01
SMR000459451
SR-01000641009-1
BRD-K16435739-001-01-1
Methyl 3-([(E)-2-(tert-butylsulfonyl)-2-cyanoethenyl]amino)-2-thiophenecarboxylate #
methyl 3-{[2-(tert-butylsulfonyl)-2-cyanovinyl]amino}thiophene-2-carboxylate
Thiophene-2-carboxylic acid, 3-(2-tert-butylsulfonyl-2-cyanoethenylamino)-, methyl ester
Microorganism:

Yes

IUPAC namemethyl 3-[[(E)-2-tert-butylsulfonyl-2-cyanoethenyl]amino]thiophene-2-carboxylate
SMILESCC(C)(C)S(=O)(=O)C(=CNC1=C(SC=C1)C(=O)OC)C#N
InchiInChI=1S/C13H16N2O4S2/c1-13(2,3)21(17,18)9(7-14)8-15-10-5-6-20-11(10)12(16)19-4/h5-6,8,15H,1-4H3/b9-8+
FormulaC13H16N2O4S2
PubChem ID2820262
Molweight328.4
LogP2.6
Atoms21
Bonds6
H-bond Acceptor7
H-bond Donor1
Chemical Classificationamines aromatic compounds esters heterocyclic compounds nitriles nitrogen compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide

Compound Details

Synonymous names
1027345-08-9
4-Fluoro-3-((trifluoromethyl)sulfonyl)benzenesulfonamide
4-FLUORO-3-(TRIFLUOROMETHYLSULFONYL)BENZENESULFONAMIDE
4-FLUORO-3-[(TRIFLUOROMETHYL)SULFONYL]BENZENESULFONAMIDE
Benzenesulfonamide, 4-fluoro-3-[(trifluoromethyl)sulfonyl]-
4-Fluoro-3-(trifluoromethylsulfonyl) benzenesulfonamide
C7H5F4NO4S2
5-Amino-1,3-diphenyl-pyrazole; 1,3-Diphenyl-1H-pyrazol-5-amine; 1,3-Diphenyl-5-aminopyrazole; 5-Amino-1,3-diphenylpyrazole
4-fluoro-3-trifluoromethanesulfonylbenzene-1-sulfonamide
SCHEMBL554223
AMY3375
DTXSID10648573
BCP34569
MFCD16251392
AKOS015888186
CS-W008963
DS-14988
DB-058849
EN300-264075
J-000775
4-fluoro-3-(trifluoromethylsulfonyl)-benzenesulfonamide
4-Fluoro-3- ((trifluoromethyl)sulfonyl)benzenesulfonamide
4-Fluoro-3-((trifluoromethyl)-sulfonyl)benzenesulfonamide
4-Fluoro-3-(trifluoromethanesulfonyl)benzene-1-sulfonamide
4-FLUORO-3-TRIFLUOROMETHANESULFONYLBENZENESULFONAMIDE
Microorganism:

Yes

IUPAC name4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)C(F)(F)F)F
InchiInChI=1S/C7H5F4NO4S2/c8-5-2-1-4(18(12,15)16)3-6(5)17(13,14)7(9,10)11/h1-3H,(H2,12,15,16)
FormulaC7H5F4NO4S2
PubChem ID25058452
Molweight307.2
LogP1.3
Atoms18
Bonds2
H-bond Acceptor9
H-bond Donor1
Chemical Classificationaromatic compounds benzenoids halogenated compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


4-(1,1-dioxo-1,4-thiazinan-4-yl)aniline

Compound Details

Synonymous names
105297-10-7
4-(4-Aminophenyl)thiomorpholine 1,1-Dioxide
4-(1,1-dioxo-1,4-thiazinan-4-yl)aniline
4-(1,1-Dioxidothiomorpholin-4-yl)aniline
4-(4-aminophenyl)thiomorpholine-1,1-dione
4-(4-AMINOPHENYL)-1??-THIOMORPHOLINE-1,1-DIONE
4-Thiomorpholinoaniline 1',1'-Dioxide
SCHEMBL175496
DTXSID30650113
AMY20734
4-(1,1-Dioxothiomorpholino)aniline
MFCD06797046
AKOS009346150
AB29550
AC-13754
AS-65826
DB-040605
4-(4-aminophenyl)thiomorpholine-1,1-dioxide
4-(4-aminophenyl)-1-thiomorpholine-1,1-dione
T70047
EN300-7419628
4-(1,1-DIOXIDO-4-THIOMORPHOLINYL)ANILINE
A801186
Benzenamine, 4-(1,1-dioxido-4-thiomorpholinyl)-
4-(4-aminophenyl)-1lambda-thiomorpholine-1,1-dione
4-(4-aminophenyl)-1lambda6-thiomorpholine-1,1-dione
4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-phenylamine
4-(4-Aminophenyl)-1lambda~6~,4-thiazinane-1,1-dione
4-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]aniline
Microorganism:

Yes

IUPAC name4-(1,1-dioxo-1,4-thiazinan-4-yl)aniline
SMILESC1CS(=O)(=O)CCN1C2=CC=C(C=C2)N
InchiInChI=1S/C10H14N2O2S/c11-9-1-3-10(4-2-9)12-5-7-15(13,14)8-6-12/h1-4H,5-8,11H2
FormulaC10H14N2O2S
PubChem ID26370384
Molweight226.3
LogP0.5
Atoms15
Bonds1
H-bond Acceptor4
H-bond Donor1
Chemical Classificationamines aromatic compounds benzenoids heterocyclic compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno
Aspergillus Nigerinoculated potato samplesGC-MSno
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


N-ethyl-2-oxo-N-(4-sulfamoylphenyl)-3H-1,3-benzoxazole-5-sulfonamide

Compound Details

Synonymous names
ZRHBSCAXRVCANA-UHFFFAOYSA-N
4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,3,5-tetramethylaniline
benzenamine, 4-[bis(2,4,6-trimethylphenyl)boryl]-N,N,3,5-tetramethyl-
Microorganism:

No

IUPAC nameN-ethyl-2-oxo-N-(4-sulfamoylphenyl)-3H-1,3-benzoxazole-5-sulfonamide
SMILESCCN(C1=CC=C(C=C1)S(=O)(=O)N)S(=O)(=O)C2=CC3=C(C=C2)OC(=O)N3
InchiInChI=1S/C15H15N3O6S2/c1-2-18(10-3-5-11(6-4-10)25(16,20)21)26(22,23)12-7-8-14-13(9-12)17-15(19)24-14/h3-9H,2H2,1H3,(H,17,19)(H2,16,20,21)
FormulaC15H15N3O6S2
PubChem ID91710641
Molweight397.4
LogP0.8
Atoms26
Bonds5
H-bond Acceptor8
H-bond Donor2
Chemical Classificationheterocyclic compounds nitrogen compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


1-hydroxy-N-[4-(octadecylsulfamoyl)phenyl]naphthalene-2-carboxamide

Compound Details

Synonymous names
OGOGFNSEOURORB-UHFFFAOYSA-N
1-hydroxy-N-[4-(octadecylsulfamoyl)phenyl]naphthalene-2-carboxamide
2-naphthalenecarboxamide, 1-hydroxy-N-[4-[(octadecylamino)sulfonyl]phenyl]-
Microorganism:

No

IUPAC name1-hydroxy-N-[4-(octadecylsulfamoyl)phenyl]naphthalene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3C=C2)O
InchiInChI=1S/C35H50N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-36-42(40,41)31-25-23-30(24-26-31)37-35(39)33-27-22-29-20-17-18-21-32(29)34(33)38/h17-18,20-27
FormulaC35H50N2O4S
PubChem ID91722471
Molweight594.8
LogP12
Atoms42
Bonds21
H-bond Acceptor5
H-bond Donor3
Chemical Classificationamides aromatic compounds benzenoids nitrogen compounds phenols sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno