Summary

IMPPAT Phytochemical identifier: IMPHY003248

Phytochemical name: 2,3-Dimethylthiophene

Synonymous chemical names:
2,3-dimethyl-thiophene, 2,3-dimethylthiophene

External chemical identifiers:
CID:34295, ZINC:ZINC000001845895, FDASRS:VJY61TQ8W6, SureChEMBL:SCHEMBL113923, MolPort-016-633-163

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Chemical structure information

SMILES:
Cc1sccc1C

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

InChIKey:
BZYUMXXOAYSFOW-UHFFFAOYSA-N

DeepSMILES:
Ccsccc5C

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: -1.577

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Chemical structure download