Summary

IMPPAT Phytochemical identifier: IMPHY001972

Phytochemical name: 3-Methylthiophene

Synonymous chemical names:
3-methyl-thiophene

External chemical identifiers:
CID:12024, ChEBI:89007, ZINC:ZINC000001692445, FDASRS:FK9ID0X5QV, SureChEMBL:SCHEMBL45372, MolPort-019-877-432

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Chemical structure information

SMILES:
Cc1cscc1

InChI:
InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3

InChIKey:
QENGPZGAWFQWCZ-UHFFFAOYSA-N

DeepSMILES:
Cccscc5

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: -2.333

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Chemical structure download