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