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CHEBI:179180 - 8-(Methylthio)octanenitrile

Default Structure
ChEBI IDCHEBI:179180
ChEBI Name8-(Methylthio)octanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H17NS
Net Charge0
Average Mass171.309
Monoisotopic Mass171.10817
SMILESCSCCCCCCCC#N
InChIInChI=1S/C9H17NS/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
InChIKeyBWZCPICNIWWLFX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(Methylthio)octanenitrile (CHEBI:179180) is a nitrile (CHEBI:18379)
IUPAC Name 
8-methylsulanyloctanenitrile
Manual XrefsDatabases
163344ChemSpider
HMDB0038438HMDB
Registry NumbersSources
CAS:58214-93-0ChemIDplus