Summary

IMPPAT Phytochemical identifier: IMPHY015935

Phytochemical name: S-Ethyl ethanethioate

Synonymous chemical names:
s-ethyl thioacetate

External chemical identifiers:
CID:61171, ZINC:ZINC000001850956, FDASRS:6E715F929W, SureChEMBL:SCHEMBL764245, MolPort-003-960-084

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Chemical structure information

SMILES:
CCSC(=O)C

InChI:
InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3

InChIKey:
APTGPWJUOYMUCE-UHFFFAOYSA-N

DeepSMILES:
CCSC=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-Likeness score: -0.345

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Chemical structure download