Summary

IMPPAT Phytochemical identifier: IMPHY001581

Phytochemical name: Hexanenitrile, 6-(methylthio)-

Synonymous chemical names:
6-(methylthio)-hexanonitrile, 6-methylthiohexanonitrile

External chemical identifiers:
CID:155939, MolPort-046-767-460

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Chemical structure information

SMILES:
CSCCCCCC#N

InChI:
InChI=1S/C7H13NS/c1-9-7-5-3-2-4-6-8/h2-5,7H2,1H3

InChIKey:
ULSCBSNSXYDREI-UHFFFAOYSA-N

DeepSMILES:
CSCCCCCC#N

Functional groups:
CC#N, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Organic cyanides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: -0.651

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Chemical structure download