Summary

IMPPAT Phytochemical identifier: IMPHY012092

Phytochemical name: Thiophene

Synonymous chemical names:
thiophene

External chemical identifiers:
CID:8030, ChEMBL:CHEMBL278958, ChEBI:30856, ZINC:ZINC000001597767, FDASRS:SMB37IQ40B, SureChEMBL:SCHEMBL243, MolPort-000-165-813

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Chemical structure information

SMILES:
c1cccs1

InChI:
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H

InChIKey:
YTPLMLYBLZKORZ-UHFFFAOYSA-N

DeepSMILES:
ccccs5

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: -1.155

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Chemical structure download