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

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

    Catalog Number
    ACM1335150098
    CAS Number
    1335150-09-8
    Product Name
    2-{[7-(5-N,N-Ditolylaminothiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]methylene}malononitrile
    Structure
    Category
    Organic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) 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
    Assay
    99% (HPLC)
    Complexity
    817
    Covalently-Bonded Unit Count
    1
    Exact Mass
    489.108188g/mol
    Form
    powder
    Formal Charge
    0
    Heavy Atom Count
    35
    MDL Number
    MFCD25976535
    Monoisotopic Mass
    489.108188g/mol
    Packaging
    250 mg in glass insert
    Rotatable Bond Count
    5
    Transition Temperature
    Tm 233 °C
    XLogP3
    7.5
    If you have any other questions or need other size, please get a quote.
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    ※ Please kindly note that our products are for research use only.
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