Summary

IMPPAT Phytochemical identifier: IMPHY010623

Phytochemical name: Butyl propenyl disulfide

Synonymous chemical names:
butyl propenyl disulfide

Chemical structure information

SMILES:
CCCCSSC=CC

InChI:
InChI=1S/C7H14S2/c1-3-5-7-9-8-6-4-2/h4,6H,3,5,7H2,1-2H3

InChIKey:
RFCWNKCKDLBCLT-UHFFFAOYSA-N

DeepSMILES:
CCCCSSC=CC

Functional groups:
CC=CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.663

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Chemical structure download