Results for:
chemical Classification: thiosulfinates

Methylsulfinylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names	methylsulfinylsulfanylmethane methylsulfinylsulfanyl-methane Methyl methanethiosulfinate (methanesulfinylsulfanyl)methane S-Methyl methanesulfinothioate Dimethyl thiosulfinate S-methylmethane thiosulfinate S-Methyl thiomethanesulfinate S-Methyl methanethiosulfinate Methyl methane thiosulphinate RRGUMJYEQDVBFP-UHFFFAOYSA-N AC1L3TSC Dimethyldisulfide, S-oxide Methanesulfinothioic acid, S-methyl ester SCHEMBL862565 NSC23129 CHEMBL403038 2,3-Dithiabutane2-oxide OR217331 NSC-23129 LS-90061 AKOS006278759 BRN 1738960 13882-12-7 MolPort-038-948-769 Methanesulfinic acid, thio-, S-methyl ester (6CI,7CI,8CI) 4-04-00-00004 (Beilstein Handbook Reference)
Microorganism:	Yes
IUPAC name	methylsulfinylsulfanylmethane
SMILES	CSS(=O)C
Inchi	InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3
Formula	C2H6OS2
PubChem ID	95200
Molweight	110.19
LogP	0.45
Atoms	11
Bonds	10
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Sulfides Sulfoxides thiosulfinates sulfur compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 85859 MS-MS Spectrum 148032 MS-MS Spectrum 148033 MS-MS Spectrum 85858 MS-MS Spectrum 85857 MS-MS Spectrum 148034

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Dinoroseobacter Shibae n/a Schulz and Dickschat, 2007 Bacteria Loktanella Sp. n/a Schulz and Dickschat, 2007 Bacteria Stigmatella Aurantiaca n/a Schulz and Dickschat, 2007
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Dinoroseobacter Shibae n/a n/a Bacteria Loktanella Sp. n/a n/a Bacteria Stigmatella Aurantiaca n/a n/a

Methylsulfonylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names	methylsulfonylsulfanylmethane methylmethanethiosulfonate methylsulfonylsulfanyl-methane Methyl methanethiosulfonate s-methylmethanethiosulfonate Methyl methanethiolsulfonate Methyl methanesulfonothioate methyl methanethiolsulfate (METHANESULFONYLSULFANYL)METHANE S-Methyl methanethiosulphonate S-Methyl methanesulfonothioate dimethyl thiosulfonate s-methyl methanethionsulfonate s-methyl methanethiolsulfonate S-Methyl thiomethanesulfonate METHYL METHANETHIO-SULFONATE s-methyl methylthiosulfonate S-Methyl methanethiosulfonate XYONNSVDNIRXKZ-UHFFFAOYSA-N methyl(methylsulfonyl)thio S-Methyl methanethiosulfonate, analytical standard Methyl Methanethiosulfonate-13C Methanethiosulfonic Acid S-Methyl Ester Methanesulfonothioic acid, S-methyl ester Methanethiosulfonic acid, S-methyl ester AC1L2BA2 S-Methyl methanethiosulfonate, 97% PubChem14140 CTK3J2626 A5499 M1382 ACMC-209h9g NE10494 NSC21545 SCHEMBL136797 CCRIS 7217 OR000547 OR207198 OR254241 DTXSID8062739 CHEMBL1236925 ZINC4268917 CHEBI:74357 NSC 21545 NSC-21545 LS-90353 SC-24153 AN-16789 ANW-26642 MFCD00007565 ZINC04268917 0906Z2356U METHANESULFONIC ACID, THIO-, S-METHYL ESTER TR-012818 ST51038052 AM20080910 RTR-012818 CS-W004461 AKOS006221195 I09-1550 J-017549 BRN 1446059 FT-0082457 UNII-0906Z2356U MCULE-2094653694 2949-92-0 EINECS 220-970-0 31761-75-8 117991-82-9 MolPort-000-157-294 S-Methyl methanethiosulfonate, purum, >=98.0% (GC) 4-04-00-00031 (Beilstein Handbook Reference) InChI=1/C2H6O2S2/c1-5-6(2,3)4/h1-2H
Microorganism:	Yes
IUPAC name	methylsulfonylsulfanylmethane
SMILES	CSS(=O)(=O)C
Inchi	InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
Formula	C2H6O2S2
PubChem ID	18064
Molweight	126.19
LogP	-0.06
Atoms	12
Bonds	11
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Sulfates Sulfoxides thiosulfinates sulfur compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 169132 MS-MS Spectrum 50974 MS-MS Spectrum 169131 MS-MS Spectrum 50975 MS-MS Spectrum 50973 MS-MS Spectrum 169133

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Burkholderia Sp. AD24 bacterial interations rhizosphere and bulk soil of Carex arenaria Tyc et al. 2017 Bacteria Dinoroseobacter Shibae n/a Schulz and Dickschat, 2007 Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_4 Bacteria Loktanella Sp. n/a Schulz and Dickschat, 2007 Bacteria Loktanella Sp. Bio-204 n/a Dickschat et al., 2005_4 Bacteria Pseudomonas Chlororaphis R47 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Fluorescens R76 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Jessenii S34 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Syringae S22 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Stigmatella Aurantiaca n/a Schulz and Dickschat, 2007 Bacteria Stigmatella Aurantiaca DW4/3-1 n/a Dickschat et al., 2005_5 Fungi Fusarium Sp. Dickschat et al. 2011 Fungi Penicillium Sp. Citron et al. 2013 Bacteria Burkholderia Ambifaria LMG 17828 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19182 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19467 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Burkholderia Sp. AD24 TSBA GC-Q-TOF no Bacteria Dinoroseobacter Shibae n/a n/a Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a n/a Bacteria Loktanella Sp. n/a n/a Bacteria Loktanella Sp. Bio-204 n/a n/a Bacteria Pseudomonas Chlororaphis R47 LB medium GC/MS Yes Bacteria Pseudomonas Fluorescens R76 LB medium GC/MS Yes Bacteria Pseudomonas Jessenii S34 LB medium GC/MS Yes Bacteria Pseudomonas Syringae S22 LB medium GC/MS Yes Bacteria Stigmatella Aurantiaca n/a n/a Bacteria Stigmatella Aurantiaca DW4/3-1 n/a n/a Fungi Fusarium Sp. no Fungi Penicillium Sp. no Bacteria Burkholderia Ambifaria LMG 17828 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19182 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19467 Luria-Bertani medium, Malt Extract n/a