Summary

IMPPAT Phytochemical identifier: IMPHY002927

Phytochemical name: 2,5-Dimethylthiophene-3-carbaldehyde

Synonymous chemical names:
2,5-dimethylthiophen-3-carboxyaldehyde

External chemical identifiers:
CID:2762759, ZINC:ZINC000002581119, SureChEMBL:SCHEMBL1834958, MolPort-000-888-974

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Chemical structure information

SMILES:
O=Cc1cc(sc1C)C

InChI:
InChI=1S/C7H8OS/c1-5-3-7(4-8)6(2)9-5/h3-4H,1-2H3

InChIKey:
WVIQPBIZBQRJAD-UHFFFAOYSA-N

DeepSMILES:
O=Ccccsc5C)))C

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: Organoheterocyclic compounds

ClassyFire Class: Thiophenes

ClassyFire Subclass: 2,3,5-trisubstituted thiophenes

NP-Likeness score: -0.887

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Chemical structure download