Summary

IMPPAT Phytochemical identifier: IMPHY009503

Phytochemical name: 2,5-Dimethylthiophene

Synonymous chemical names:
2,5-dimethyl-thiophene, 2,5-dimethylthiophene, thiophene, 2,5-dimethyl-

External chemical identifiers:
CID:12514, ChEBI:167073, ZINC:ZINC000001690407, FDASRS:V6DDX6WB12, SureChEMBL:SCHEMBL64283, MolPort-016-633-153

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Chemical structure information

SMILES:
Cc1ccc(s1)C

InChI:
InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

InChIKey:
GWQOOADXMVQEFT-UHFFFAOYSA-N

DeepSMILES:
Cccccs5)C

Functional groups:
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: 2,5-disubstituted thiophenes

NP-Likeness score: -1.405

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Chemical structure download