Summary

IMPPAT Phytochemical identifier: IMPHY015619

Phytochemical name: Diisoamyl disulfide

Synonymous chemical names:
diisoamyl disulphide

External chemical identifiers:
CID:74915, ChEMBL:CHEMBL120687, ZINC:ZINC000001640860, FDASRS:7309LNT30N, SureChEMBL:SCHEMBL2124275

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Chemical structure information

SMILES:
CC(CCSSCCC(C)C)C

InChI:
InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey:
MPYGLNNTOXLWOB-UHFFFAOYSA-N

DeepSMILES:
CCCCSSCCCC)C))))))))C

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: 0.149

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Chemical structure download