CHEBI:51280 - S-methyl thioacetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-methyl thioacetate
ChEBI ID CHEBI:51280
ChEBI ASCII Name S-methyl thioacetate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:38533, CHEBI:51279
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Formula C3H6OS
Net Charge 0
Average Mass 90.14514
Monoisotopic Mass 90.01394
InChI InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
InChIKey OATSQCXMYKYFQO-UHFFFAOYSA-N
SMILES CSC(C)=O
ChEBI Ontology
Outgoing S-methyl thioacetate (CHEBI:51280) has functional parent ethanethioic S-acid (CHEBI:16555)
S-methyl thioacetate (CHEBI:51280) is a thioester (CHEBI:51277)
Incoming 1-(methylsulfanyl)acetaldoxime (CHEBI:38534) has functional parent S-methyl thioacetate (CHEBI:51280)
IUPAC Name
S-methyl ethanethioate
Synonyms Sources
CH3C(O)SCH3 NIST Chemistry WebBook
ethanethioic acid, S-methyl ester ChemIDplus
methanethiol acetate ChemIDplus
methyl ethanethioate NIST Chemistry WebBook
methyl thioacetate ChemIDplus
methylthioacetate ChemIDplus
thioacetic acid S-methyl ester NIST Chemistry WebBook
Registry Numbers Types Sources
1316927 Gmelin Registry Number Gmelin
1534-08-3 CAS Registry Number NIST Chemistry WebBook
1534-08-3 CAS Registry Number ChemIDplus
1736664 Beilstein Registry Number Beilstein
Last Modified
23 October 2015