Summary

IMPPAT Phytochemical identifier: IMPHY017187

Phytochemical name: Butyl methyl trisulfide

Synonymous chemical names:
butyl methyl trisulfide

External chemical identifiers:
CID:189722

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Chemical structure information

SMILES:
CCCCSSSC

InChI:
InChI=1S/C5H12S3/c1-3-4-5-7-8-6-2/h3-5H2,1-2H3

InChIKey:
UERQNAZBAUOZKO-UHFFFAOYSA-N

DeepSMILES:
CCCCSSSC

Functional groups:
CSSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic trisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.199

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Chemical structure download