Summary

IMPPAT Phytochemical identifier: IMPHY000017

Phytochemical name: 2-Methylthiophene

Synonymous chemical names:
2-methyl-thiophene

External chemical identifiers:
CID:11126, ChEBI:141567, ZINC:ZINC000002034789, FDASRS:7115JAP77A, SureChEMBL:SCHEMBL17873, MolPort-019-346-351

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Chemical structure information

SMILES:
Cc1cccs1

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

InChIKey:
XQQBUAPQHNYYRS-UHFFFAOYSA-N

DeepSMILES:
Cccccs5

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: -1.968

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Chemical structure download