Summary

IMPPAT Phytochemical identifier: IMPHY014646

Phytochemical name: 2-Formyl-terthienyl

Synonymous chemical names:
2-formyl-terthienyl

External chemical identifiers:
CID:129774363

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Chemical structure information

SMILES:
O=CC1(CC=CS1)c1sccc1c1cccs1

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

InChIKey:
STXSKYBHAOAVNE-UHFFFAOYSA-N

DeepSMILES:
O=CCCC=CS5))))csccc5ccccs5

Functional groups:
C1=CSCC1, CC=O, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CSC(c2sccc2-c2cccs2)C1

Scaffold Graph/Node level:
C1CSC(C2CCSC2C2CCCS2)C1

Scaffold Graph level:
C1CCC(C2CCCC2C2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Bi- and oligothiophenes

NP-Likeness score: -0.541

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Chemical structure download