CHEBI:179180 - 8-(Methylthio)octanenitrile

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8-(Methylthio)octanenitrile
ChEBI ID CHEBI:179180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H17NS
Net Charge 0
Average Mass 171.300
Monoisotopic Mass 171.10817
InChI InChI=1S/C9H17NS/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
InChIKey BWZCPICNIWWLFX-UHFFFAOYSA-N
SMILES S(CCCCCCCC#N)C
ChEBI Ontology
Outgoing 8-(Methylthio)octanenitrile (CHEBI:179180) is a nitrile (CHEBI:18379)
IUPAC Name
8-methylsulanyloctanenitrile
Manual Xrefs Databases
163344 ChemSpider
HMDB0038438 HMDB
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Registry Number Type Source
58214-93-0 CAS Registry Number ChemIDplus