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CHEBI:137432 - methyl β-(acetylthio)isobutyrate

ChEBI IDCHEBI:137432
ChEBI Namemethyl β-(acetylthio)isobutyrate
Stars
ASCII Namemethyl beta-(acetylthio)isobutyrate
DefinitionA methyl ester derived from β-(acetylthio)isobutyric acid.
Last Modified17 August 2017
Submittergemma
DownloadsMolfile
FormulaC7H12O3S
Net Charge0
Average Mass176.237
Monoisotopic Mass176.05072
SMILESCOC(=O)C(C)CSC(C)=O
InChIInChI=1S/C7H12O3S/c1-5(7(9)10-3)4-11-6(2)8/h5H,4H2,1-3H3
InChIKeyODXYWRPJDYJIPT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl β-(acetylthio)isobutyrate (CHEBI:137432) has functional parent isobutyric acid (CHEBI:16135)
methyl β-(acetylthio)isobutyrate (CHEBI:137432) is a methyl ester (CHEBI:25248)
methyl β-(acetylthio)isobutyrate (CHEBI:137432) is a thioacetate ester (CHEBI:52477)
IUPAC Name 
methyl 3-(acetylsulfanyl)-2-methylpropanoate
Synonyms  Source
DL-MATISUBMITTER
methyl 3-(acetylthio)-2-methylpropanoateChEBI
methyl 3-(acetylsulfanyl)-2-methylpropionateChEBI
methyl 3-(acetylthio)-2-methylpropionateChEBI
methyl 3-(acetylthio)isobutyrateChEBI
Registry NumbersSources
Reaxys:1768686Reaxys
CAS:97101-46-7ChemIDplus
Citations