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  • 1,4-Di(2-thienyl)-1,4-butanedione

  • 1,4-Di(2-thienyl)-1,4-butanedione

    Catalog Number
    ACM13669051
    CAS Number
    13669-05-1
    Product Name
    1,4-Di(2-thienyl)-1,4-butanedione
    Structure
    Category
    Polymers
    IUPAC Name
    1,4-dithiophen-2-ylbutane-1,4-dione
    Molecular Weight
    250.3g/mol
    Molecular Formula
    C12H10O2S2
    Canonical SMILES
    C1=CSC(=C1)C(=O)CCC(=O)C2=CC=CS2
    InChI
    InChI=1S/C12H10O2S2/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1-4,7-8H,5-6H2
    InChI Key
    QJGKCQWQNOPAMG-UHFFFAOYSA-N
    Purity
    >95.0%(GC)
    Complexity
    250
    Covalently-Bonded Unit Count
    1
    Exact Mass
    250.012222g/mol
    Formal Charge
    0
    Heavy Atom Count
    16
    MeSH Entry Terms
    1,4-di(2'-thienyl)-1,4-butadione;1,4-dithienyl-1,4-butadione
    Monoisotopic Mass
    250.012222g/mol
    NSC Number
    671955
    Rotatable Bond Count
    5
    XLogP3
    2.9
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