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Thieno[3,2-b]thiophene-2-carbonitrile

Catalog Number
ACM40985588
CAS Number
40985-58-8
Product Name
Thieno[3,2-b]thiophene-2-carbonitrile
Category
Small Molecule Semiconductor Building Blocks; Semiconductor Blocks
IUPAC Name
thieno[3,2-b]thiophene-5-carbonitrile
Molecular Weight
165.2g/mol
Molecular Formula
C7H3NS2
Canonical SMILES
C1=CSC2=C1SC(=C2)C#N
InChI
InChI=1S/C7H3NS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-3H
InChI Key
UPRBPGCXCNBTQH-UHFFFAOYSA-N
Application
Thieno[3,2-b]thiophene-2-carbonitrile serves as an essential intermediate in the synthesis of small molecules and polymers, particularly applied in the domain of organic electronics. Its unique structural attributes, characterized by electron-rich fused thiophenes with rigid frameworks and extended π-conjugation, make it an ideal component for modulating the band gap in organic polymer semiconducting materials. This compound finds notable applications in the development of organic field-effect transistors (OFETs) and as interface layers in organic photovoltaic devices (OPVs), functioning as either hole transport layers (HTL) or electron transport layers (ETL).
Complexity
183
Covalently-Bonded Unit Count
1
Exact Mass
164.970691g/mol
Formal Charge
0
Heavy Atom Count
10
Monoisotopic Mass
164.970691g/mol
Rotatable Bond Count
0
XLogP3
2.8
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