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CHEBI:173672 - 3-Mercaptohexyl hexanoate

ChEBI IDCHEBI:173672
ChEBI Name3-Mercaptohexyl hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24O2S
Net Charge0
Average Mass232.389
Monoisotopic Mass232.14970
SMILESCCCCCC(=O)OCCC(S)CCC
InChIInChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
InChIKeyKVXKOWZLYWBURN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Mercaptohexyl hexanoate (CHEBI:173672) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
3-sulanylhexyl hexanoate
Manual XrefsDatabases
467713ChemSpider
HMDB0037766HMDB
Registry NumbersSources
CAS:136954-22-8ChemIDplus