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CHEBI:74357 - S-methyl methanethiosulfonate

Default Structure
ChEBI IDCHEBI:74357
ChEBI NameS-methyl methanethiosulfonate
Stars
ASCII NameS-methyl methanethiosulfonate
DefinitionA sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol.
Last Modified29 November 2021
Submittermwilliams
DownloadsMolfile
FormulaC2H6O2S2
Net Charge0
Average Mass126.202
Monoisotopic Mass125.98092
SMILESCSS(C)(=O)=O
InChIInChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKeyXYONNSVDNIRXKZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 methanethiolsulfonateChEBI
Registry NumbersSources
Reaxys:1446059Reaxys
CAS:2949-92-0ChemIDplus