Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001938

Phytochemical name: Dipropyl trisulfide

Synonymous chemical names:
dipropyl trisulfide, propyl trisulfide,di, dipropyl trisulfide, dipropyl-trisulfide

External chemical identifiers:
CID:CID_22383, ChEMBL:CHEMBL3222023, ChEBI:CHEBI:173865, ZINC:ZINC000002168409, FDASRS:U4529NM2C1, SureChEMBL:SCHEMBL564543, MolPort-006-117-437

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Chemical structure information

SMILES:
CCCSSSCCC

InChI:
InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3

InChIKey:
GAZXPZNJTZIGBO-UHFFFAOYSA-N

DeepSMILES:
CCCSSSCCC

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: 0.733

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Chemical structure download