Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001988

Phytochemical name: Ethyl cis-1-propenyl sulfide

Synonymous chemical names:
ethyl cis-1-propenyl sulfide

External chemical identifiers:
CID:CID_5463194, SureChEMBL:SCHEMBL9885792

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Chemical structure information

SMILES:
CCS/C=C\C

InChI:
InChI=1S/C5H10S/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3-

InChIKey:
GBUNXBFHVUCURS-HYXAFXHYSA-N

DeepSMILES:
CCS/C=C\C

Functional groups:
C/C=C\SC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thioethers

ClassyFire Subclass: Thioenol ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.214

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Chemical structure download