CHEBI:74357 - S-methyl methanethiosulfonate

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ChEBI Name S-methyl methanethiosulfonate
ChEBI ID CHEBI:74357
ChEBI ASCII Name S-methyl methanethiosulfonate
Definition A sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C2H6O2S2
Net Charge 0
Average Mass 126.19800
Monoisotopic Mass 125.98092
InChI InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKey XYONNSVDNIRXKZ-UHFFFAOYSA-N
SMILES CSS(C)(=O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing S-methyl methanethiosulfonate (CHEBI:74357) has functional parent methanesulfonic acid (CHEBI:27376)
S-methyl methanethiosulfonate (CHEBI:74357) has functional parent methanethiol (CHEBI:16007)
S-methyl methanethiosulfonate (CHEBI:74357) has role metabolite (CHEBI:25212)
S-methyl methanethiosulfonate (CHEBI:74357) is a sulfonic acid derivative (CHEBI:33552)
S-methyl methanethiosulfonate (CHEBI:74357) is a thiosulfonate ester (CHEBI:75521)
IUPAC Name
S-methyl methanesulfonothioate
Synonym Source
methyl methanethiolsulfonate ChEBI
Registry Numbers Types Sources
1446059 Reaxys Registry Number Reaxys
2949-92-0 CAS Registry Number ChemIDplus
Last Modified
29 November 2021