Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001869

Phytochemical name: Diallyl trisulfide

Synonymous chemical names:
diallyl trisulfide, diallyl trisulphide, di-2-propenyl trisulphide, diallyl-trisulfide, diallyl trisulfide, diallyl trisulfidea, trisulfide, di-2-propenyl, allyl trisulfide, diallyl trisulfidea, di-2-propenyl trisulfide

External chemical identifiers:
CID:CID_16315, ChEMBL:CHEMBL123040, ChEBI:CHEBI:78492, FDASRS:0ZO1U5A3XX, SureChEMBL:SCHEMBL562845, MolPort-003-665-652

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Chemical structure information

SMILES:
C=CCSSSCC=C

InChI:
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2

InChIKey:
UBAXRAHSPKWNCX-UHFFFAOYSA-N

DeepSMILES:
C=CCSSSCC=C

Functional groups:
C=CC, CSSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic trisulfides

NP-Likeness score: 1.203

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Chemical structure download