Summary

IMPPAT Phytochemical identifier: IMPHY017139

Phytochemical name: Thiophene, 2,3,4-trimethyl-

Synonymous chemical names:
2,3,4-trimethylthiophene

External chemical identifiers:
CID:15710, ZINC:ZINC000002039246, SureChEMBL:SCHEMBL765340

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Chemical structure information

SMILES:
Cc1c(C)csc1C

InChI:
InChI=1S/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3

InChIKey:
MAVVDCDMBKFUES-UHFFFAOYSA-N

DeepSMILES:
CccC)csc5C

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: -1.2

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Chemical structure download