Summary

IMPPAT Phytochemical identifier: IMPHY017315

Phytochemical name: 3,4-Diethylthiophene

Synonymous chemical names:
3,4-diethylthiophene (probable)

External chemical identifiers:
CID:520753, FDASRS:1VA6H491OV, SureChEMBL:SCHEMBL983719

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Chemical structure information

SMILES:
CCc1cscc1CC

InChI:
InChI=1S/C8H12S/c1-3-7-5-9-6-8(7)4-2/h5-6H,3-4H2,1-2H3

InChIKey:
KWMRVTDUWMBHRV-UHFFFAOYSA-N

DeepSMILES:
CCccscc5CC

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: -0.695

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Chemical structure download