CAS 1335150-09-8 2-{[7-(5-N,N-Ditolylaminothiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]methylene}malononitrile

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2-{[7-(5-N,N-Ditolylaminothiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]methylene}malononitrile

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Catalog Number

ACM1335150098

Product Name

2-{[7-(5-N,N-Ditolylaminothiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]methylene}malononitrile

Structure

CAS

1335150-09-8

Category

Organic Field Effect Transistor (OFET) Materials

Synonyms

2-[[7-[5-[Bis(4-methylphenyl)amino]-2-thienyl]-2,1,3-benzothiadiazol-4-yl]methylene]propanedinitrile,DTDCTB

Description

2-{[7-(5-N,N-Ditolylaminothiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]methylene}malononitrile (DTDCTB) is a conducting polymer that can be used as a donor molecule. It is majorly used in the development of organic electronics.

IUPAC Name

2-[[4-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]propanedinitrile

Molecular Weight

489.61

Molecular Formula

C28H19N5S2

Canonical SMILES

CC(C=C1)=CC=C1N(C2=CC=C(C)C=C2)C3=CC=C(C4=CC=C(C=C(C#N)C#N)C5=NSN=C54)S3

InChI

1S/C28H19N5S2/c1-18-3-8-22(9-4-18)33(23-10-5-19(2)6-11-23)26-14-13-25(34-26)24-12-7-21(15-20(16-29)17-30)27-28(24)32-35-31-27/h3-15H,1-2H3,BCJCBXQJAANTJL-UHFFFAOYSA-N

InChI Key

BCJCBXQJAANTJL-UHFFFAOYSA-N

Melting Point

230-235 °C

Application

A vacuum-deposited organic solar cell employing this novel donor-acceptor-acceptor (D-A-A) donor molecule; DTDCTB; combined with the electron acceptor C60/ C70 achieved a record-high power conversion efficiency (PCE) of 5.81%.

Storage

room temp

Complexity

817

Covalently-Bonded Unit Count

Exact Mass

489.108188g/mol

Form

powder

Formal Charge

Heavy Atom Count

MDL Number