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CHEBI:156077 - butyl 2-(methylsulfanyl)acetate

ChEBI IDCHEBI:156077
ChEBI Namebutyl 2-(methylsulfanyl)acetate
Stars
DefinitionA carboxylic ester obtained by the formal condensation of the carboxy group of (methylthio)acetic acid with butan-1-ol.
Last Modified13 July 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H14O2S
Net Charge0
Average Mass162.254
Monoisotopic Mass162.07145
SMILESCCCCOC(=O)CSC
InChIInChI=1S/C7H14O2S/c1-3-4-5-9-7(8)6-10-2/h3-6H2,1-2H3
InChIKeyQXJSYAFLDDZIQI-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)
butyl 2-(methylsulfanyl)acetate (CHEBI:156077) has functional parent (methylthio)acetic acid (CHEBI:47870)
butyl 2-(methylsulfanyl)acetate (CHEBI:156077) has role metabolite (CHEBI:25212)
butyl 2-(methylsulfanyl)acetate (CHEBI:156077) is a carboxylic ester (CHEBI:33308)
butyl 2-(methylsulfanyl)acetate (CHEBI:156077) is a methyl sulfide (CHEBI:86315)
IUPAC Name 
butyl (methylsulfanyl)acetate
Synonyms  Source
butyl (methylthio)acetateChemIDplus
n-butyl 2-methylthioacetateChemIDplus
(methylthio)acetic acid butyl esterChemIDplus
UniProt Name  Source
butyl 2-(methylsulfanyl)acetateUniProt
Registry NumbersSources
CAS:67746-25-2ChemIDplus
Citations