Summary

IMPPAT Phytochemical identifier: IMPHY006626

Phytochemical name: 2-Acetylthiophene

Synonymous chemical names:
2-acetylthiophen, 2-acetylthiophene

External chemical identifiers:
CID:6920, ChEMBL:CHEMBL401911, ZINC:ZINC000000157402, FDASRS:5ASO208T20, SureChEMBL:SCHEMBL3798, MolPort-000-150-878

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Chemical structure information

SMILES:
CC(=O)c1cccs1

InChI:
InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

InChIKey:
WYJOVVXUZNRJQY-UHFFFAOYSA-N

DeepSMILES:
CC=O)ccccs5

Functional groups:
cC(C)=O, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccsc1

Scaffold Graph/Node level:
C1CCSC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: -1.866

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Chemical structure download