CHEBI:194616 - 2-(Benzylthio)propanoic acid

ChEBI IDCHEBI:194616
ChEBI Name2-(Benzylthio)propanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O2S
Net Charge0
Average Mass196.271
Monoisotopic Mass196.05580
SMILESCC(SCc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O2S/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChIKeyQKHQITUHYKZKJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(Benzylthio)propanoic acid (CHEBI:194616) is a benzenes (CHEBI:22712)
IUPAC Name 
2-benzylsulanylpropanoic acid
Manual XrefsDatabases
D85994KEGG DRUG
238337ChemSpider