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CHEBI:87547 - S-octyl ethanethioate

ChEBI IDCHEBI:87547
ChEBI NameS-octyl ethanethioate
Stars
ASCII NameS-octyl ethanethioate
DefinitionA thioacetate ester of octane-1-thiol.
Last Modified18 August 2015
Submitternamrata
DownloadsMolfile
FormulaC10H20OS
Net Charge0
Average Mass188.336
Monoisotopic Mass188.12349
SMILESCCCCCCCCSC(C)=O
InChIInChI=1S/C10H20OS/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKeyNQMNVUDCUZKJRL-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-octyl ethanethioate (CHEBI:87547) has role metabolite (CHEBI:25212)
S-octyl ethanethioate (CHEBI:87547) is a thioacetate ester (CHEBI:52477)
IUPAC Name 
S-octyl ethanethioate
Synonyms  Source
1-acetylthiooctaneChEBI
S-octyl thioacetateChEBI
thioacetic acid S-octyl esterChEBI
Registry NumbersSources
Reaxys:1754773Reaxys