Summary

IMPPAT Phytochemical identifier: IMPHY017715

Phytochemical name: Thiophene-2-carbaldehyde

Synonymous chemical names:
2-thiophenecarbaldehyde

External chemical identifiers:
CID:7364, ChEMBL:CHEMBL328441, ChEBI:87301, ZINC:ZINC000000158751, FDASRS:IW05BB9XBM, SureChEMBL:SCHEMBL31206, MolPort-000-142-463

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Chemical structure information

SMILES:
O=Cc1cccs1

InChI:
InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H

InChIKey:
CNUDBTRUORMMPA-UHFFFAOYSA-N

DeepSMILES:
O=Cccccs5

Functional groups:
cC=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: -2.151

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Chemical structure download