Summary

IMPPAT Phytochemical identifier: IMPHY007170

Phytochemical name: 2,2':5',2''-Terthiophene

Synonymous chemical names:
2,2',5', 2"-terthiophene, 2,10-di-(gamma,gamma-dimethylallyl)glycinol, alpha-terthienyl, α-terthienyl, α-terthiophene

External chemical identifiers:
CID:65067, ChEMBL:CHEMBL90017, ChEBI:10335, ZINC:ZINC000000109841, FDASRS:0P77RAU2RR, SureChEMBL:SCHEMBL147274, MolPort-000-006-358

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Chemical structure information

SMILES:
c1csc(c1)c1ccc(s1)c1cccs1

InChI:
InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H

InChIKey:
KXSFECAJUBPPFE-UHFFFAOYSA-N

DeepSMILES:
ccscc5)ccccs5)ccccs5

Functional groups:
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: -0.806

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Chemical structure download