Summary

IMPPAT Phytochemical identifier: IMPHY003237

Phytochemical name: 2,4-Dimethylthiophene

Synonymous chemical names:
2,4-dimethyl-thiophene, 2,4-dimethylthiophene, thiophene, 2-4-dimethyl

External chemical identifiers:
CID:34296, ZINC:ZINC000001845884, FDASRS:Q9B2TF3UVC, SureChEMBL:SCHEMBL40746, MolPort-016-633-162

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Chemical structure information

SMILES:
Cc1scc(c1)C

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

InChIKey:
CPULIKNSOUFMPL-UHFFFAOYSA-N

DeepSMILES:
Ccsccc5)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: Heteroaromatic compounds

NP-Likeness score: -1.537

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Chemical structure download