Summary

IMPPAT Phytochemical identifier: IMPHY017022

Phytochemical name: Dibutyl disulfide

Synonymous chemical names:
dibutyl disulphide

External chemical identifiers:
CID:12386, ChEBI:169772, ZINC:ZINC000001669417, FDASRS:Z77EF35C0Q, SureChEMBL:SCHEMBL223886, MolPort-003-940-558

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Chemical structure information

SMILES:
CCCCSSCCCC

InChI:
InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3

InChIKey:
CUDSBWGCGSUXDB-UHFFFAOYSA-N

DeepSMILES:
CCCCSSCCCC

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: Hydrocarbons

NP-Likeness score: -0.012

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Chemical structure download