EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173793 - Allyl thiohexanoate

ChEBI IDCHEBI:173793
ChEBI NameAllyl thiohexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16OS
Net Charge0
Average Mass172.293
Monoisotopic Mass172.09219
SMILESC=CCSC(=O)CCCCC
InChIInChI=1S/C9H16OS/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKeyTVKQYQGVHJUGJH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Allyl thiohexanoate (CHEBI:173793) is a thioester (CHEBI:51277)
IUPAC Name 
S-prop-2-enyl hexanethioate
Manual XrefsDatabases
HMDB0039467HMDB
23349939ChemSpider
Registry NumbersSources
CAS:156420-69-8ChemIDplus