Summary

IMPPAT Phytochemical identifier: IMPHY009791

Phytochemical name: alpha-Terthienylmethanol

Synonymous chemical names:
alpha-terthienylmethanol, α-terthienyl-methanol

External chemical identifiers:
CID:454740, ChEMBL:CHEMBL90170, ZINC:ZINC000006567211, SureChEMBL:SCHEMBL498783, MolPort-035-706-306

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Chemical structure information

SMILES:
OCc1ccc(s1)c1ccc(s1)c1cccs1

InChI:
InChI=1S/C13H10OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-7,14H,8H2

InChIKey:
WAYZWWNNJZMQCQ-UHFFFAOYSA-N

DeepSMILES:
OCccccs5)ccccs5)ccccs5

Functional groups:
CO, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1csc(-c2ccc(-c3cccs3)s2)c1

Scaffold Graph/Node level:
C1CSC(C2CCC(C3CCCS3)S2)C1

Scaffold Graph level:
C1CCC(C2CCC(C3CCCC3)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Bi- and oligothiophenes

NP-Likeness score: -0.646

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Chemical structure download