CAS 389-58-2 4H-Cyclopenta[2,1-B:3,4-B']Dithiophene

NAVIGATION

4H-Cyclopenta[2,1-B:3,4-B']Dithiophene

PRICE INQUIRY

Catalog Number

ACM389582-1

CAS Number

389-58-2

Product Name

4H-Cyclopenta[2,1-B:3,4-B']Dithiophene

Structure

Category

Small Molecule Semiconductor Building Blocks; Organic Light-Emitting Diode (OLED) Materials; Other Materials; Semiconductor Blocks

Synonyms

3,4-Dithia-7H-Cyclopenta[A]Pentalene

IUPAC Name

3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

Molecular Weight

178.3g/mol

Molecular Formula

C9H6S2

Canonical SMILES

C1C2=C(C3=C1C=CS3)SC=C2

InChI

InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2

InChI Key

UITASDKJJNYORO-UHFFFAOYSA-N

Melting Point

73-75°C(lit.)

Purity

98%

Appearance

Light Brown Crystalline Powder

Application

4H-Cyclopenta[2,1-B:3,4-B']Dithiophene serves a crucial role in the synthesis of donor-acceptor copolymers, primarily due to its unique rigid coplanar structure that enhances π-π intermolecular interactions. This compound, commonly referred to as CPDT, is known for its excellent electron-donating properties, making it a highly sought-after building block for organic field-effect transistors and organic electronics. Its distinctive five-member ring architecture enables side-chain modifications, which enhance solution solubility-essential for device fabrication and polymer processing. A notable application is in the development of PCPDTBT, a polymer that alternates CPDT with 2,1,3-benzothiadiazole units, achieving impressive device performance with a power conversion efficiency exceeding 6%.

Complexity

151

Covalently-Bonded Unit Count

Exact Mass

177.991093g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

177.991093g/mol

Rotatable Bond Count

XLogP3

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