Summary

IMPPAT Phytochemical identifier: IMPHY007152

Phytochemical name: Allyl methyl sulfide

Synonymous chemical names:
allyl methyl sulfide, allyl methyl sulphide, allyl methyl sulfide

External chemical identifiers:
CID:66282, ChEBI:89856, ZINC:ZINC000002015871, FDASRS:V7QI1R316C, SureChEMBL:SCHEMBL9042, MolPort-001-792-149

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Chemical structure information

SMILES:
CSCC=C

InChI:
InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3

InChIKey:
NVLPQIPTCCLBEU-UHFFFAOYSA-N

DeepSMILES:
CSCC=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: -0.264

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Chemical structure download