Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001854

Phytochemical name: Diallyl disulfide

Synonymous chemical names:
allyl-disulfide, allyl disulfide(diallyl disulfide), diallyl sulfide, allyl disulphide, allitin, diallyl disulfide, diallyl disulfide, allyl disulfide, diallyl sulfidea, diallyl disulphide, diallyl disulfidea, diallyl sulfidea, diallyl-disulfide, diallyl disulfidea, di-2-propenyl disulfide

External chemical identifiers:
CID:CID_16590, ChEMBL:CHEMBL366603, ChEBI:CHEBI:4488, ZINC:ZINC000001531082, FDASRS:5HI47O6OA7, SureChEMBL:SCHEMBL93944, MolPort-003-665-653

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Chemical structure information

SMILES:
C=CCSSCC=C

InChI:
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2

InChIKey:
PFRGXCVKLLPLIP-UHFFFAOYSA-N

DeepSMILES:
C=CCSSCC=C

Functional groups:
C=CC, CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: 0.884

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Chemical structure download