Summary

IMPPAT Phytochemical identifier: IMPHY010610

Phytochemical name: Propanethial S-oxide

Synonymous chemical names:
e-propanethial s-oxide, thiopropanal-s-oxide, z-propanethial s-oxide

External chemical identifiers:
CID:441491, ChEBI:8475, ZINC:ZINC000004658604, FDASRS:TLN93NUR7S, SureChEMBL:SCHEMBL1490696

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Chemical structure information

SMILES:
CCC=S=O

InChI:
InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3

InChIKey:
BAZSXBOAXJLRNH-UHFFFAOYSA-N

DeepSMILES:
CCC=S=O

Functional groups:
CC=S=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thiocarbonyl compounds

ClassyFire Subclass: Thioaldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.077

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Chemical structure download