Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001992

Phytochemical name: Methyl butyl disulfide

Synonymous chemical names:
methyl butyl disulfide, butyl methyl disulfide

External chemical identifiers:
CID:CID_521941, SureChEMBL:SCHEMBL575853

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Chemical structure information

SMILES:
CCCCSSC

InChI:
InChI=1S/C5H12S2/c1-3-4-5-7-6-2/h3-5H2,1-2H3

InChIKey:
ABUPWXCYFWRZKL-UHFFFAOYSA-N

DeepSMILES:
CCCCSSC

Functional groups:
CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

ClassyFire Subclass: Dialkyldisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.425

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Chemical structure download