Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001990

Phytochemical name: Allyl methyl disulfide

Synonymous chemical names:
allyl methyl disulphide, allyl methyl disulfidea, methyl allyl disulfide, methyl 2-propenyl disulphide, allyl methyl disulfide, allyl methyl disulfidea

External chemical identifiers:
CID:CID_62434, ChEBI:CHEBI:6854, ZINC:ZINC000001531088, FDASRS:OXW45UTR7B, SureChEMBL:SCHEMBL548935, MolPort-006-114-066

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Chemical structure information

SMILES:
CSSCC=C

InChI:
InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3

InChIKey:
XNZOTQPMYMCTBZ-UHFFFAOYSA-N

DeepSMILES:
CSSCC=C

Functional groups:
CSSC, C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Allyl sulfur compounds

NP-Likeness score: 1.447

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Chemical structure download