Summary

IMPPAT Phytochemical identifier: IMPHY016622

Phytochemical name: Diisopropyl disulfide

Synonymous chemical names:
diisopropyl disulfide

External chemical identifiers:
CID:77932, ChEBI:173637, ZINC:ZINC000001674078, FDASRS:BP550P623A, SureChEMBL:SCHEMBL224884, MolPort-003-941-790

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Chemical structure information

SMILES:
CC(SSC(C)C)C

InChI:
InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3

InChIKey:
LZAZXBXPKRULLB-UHFFFAOYSA-N

DeepSMILES:
CCSSCC)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-Likeness score: 0.183

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Chemical structure download