Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001840

Phytochemical name: Diallyl sulfide

Synonymous chemical names:
diallyl sulfide, allyl sulfide, diallyl-sulfide, diallyl sulphide

External chemical identifiers:
CID:CID_11617, ChEMBL:CHEMBL170458, ChEBI:CHEBI:4489, ZINC:ZINC000001531083, FDASRS:60G7CF7CWZ, SureChEMBL:SCHEMBL45800, MolPort-003-665-654

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Chemical structure information

SMILES:
C=CCSCC=C

InChI:
InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChIKey:
UBJVUCKUDDKUJF-UHFFFAOYSA-N

DeepSMILES:
C=CCSCC=C

Functional groups:
C=CC, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: 0.047

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Chemical structure download