Summary
IMPPAT Phytochemical identifier: IMPHY005399
Phytochemical name: Diallyl trisulfide
Synonymous chemical names:allyl trisulfide, di-2-propenyl trisulfide, di-2-propenyl trisulphide, diallyl trisulfide, diallyl trisulfidea, diallyl trisulphide, diallyl trisulfide, diallyl trisulfidea, diallyl-trisulfide, trisulfide, di-2-propenyl
External chemical identifiers:CID:16315, ChEMBL:CHEMBL123040, ChEBI:78492, FDASRS:0ZO1U5A3XX, SureChEMBL:SCHEMBL562845, MolPort-003-665-652
Chemical structure information
SMILES:
C=CCSSSCC=CInChI:
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2InChIKey:
UBAXRAHSPKWNCX-UHFFFAOYSA-NDeepSMILES:
C=CCSSSCC=CFunctional groups:
C=CC, CSSSC
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organosulfur compoundsClassyFire Class: Organic trisulfides
NP-Likeness score: 1.203
Covalent inhibitor information
Chemical structure download