Summary

IMPPAT Phytochemical identifier: IMPHY015940

Phytochemical name: S-Propyl thioacetate

Synonymous chemical names:
s-propyl thioacetate

External chemical identifiers:
CID:61295, ChEBI:173442, ZINC:ZINC000001850875, FDASRS:Y7284NZ6EP, SureChEMBL:SCHEMBL1532586, MolPort-006-114-193

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Chemical structure information

SMILES:
CCCSC(=O)C

InChI:
InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3

InChIKey:
SBWFWBJCYMBZEY-UHFFFAOYSA-N

DeepSMILES:
CCCSC=O)C

Functional groups:
CSC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Thiocarboxylic acids and derivatives

ClassyFire Subclass: Thioesters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.044

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Chemical structure download