Summary

IMPPAT Phytochemical identifier: IMPHY017029

Phytochemical name: Dibutyl trisulfide

Synonymous chemical names:
dibutyl trisulphide

External chemical identifiers:
CID:12481804, SureChEMBL:SCHEMBL17159695

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Chemical structure information

SMILES:
CCCCSSSCCCC

InChI:
InChI=1S/C8H18S3/c1-3-5-7-9-11-10-8-6-4-2/h3-8H2,1-2H3

InChIKey:
MFNTTYYYVNGQPW-UHFFFAOYSA-N

DeepSMILES:
CCCCSSSCCCC

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: Hydrocarbons

NP-Likeness score: 0.388

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Chemical structure download