Summary

IMPPAT Phytochemical identifier: IMPHY007278

Phytochemical name: 2-Butyl methyl trisulphide

Synonymous chemical names:
2- butyl methyl trisulphide, 2-butyl methyl trisulphide, 2-butylmethyl trisulphide

External chemical identifiers:
CID:91750142

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Chemical structure information

SMILES:
CSSSC(CC)C

InChI:
InChI=1S/C5H12S3/c1-4-5(2)7-8-6-3/h5H,4H2,1-3H3

InChIKey:
SIUGIGZNLAXXRJ-UHFFFAOYSA-N

DeepSMILES:
CSSSCCC))C

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: 1.179

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Chemical structure download