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  • 4,4-Bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene

  • 4,4-Bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene

    Catalog Number
    ACM365547202-1
    CAS Number
    365547-20-2
    Product Name
    4,4-Bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene
    Category
    Polymers; Semiconductor Blocks
    IUPAC Name
    7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
    Molecular Weight
    402.7g/mol
    Molecular Formula
    C25H38S2
    Canonical SMILES
    CCCCC(CC)CC1(C2=C(C3=C1C=CS3)SC=C2)CC(CC)CCCC
    InChI
    InChI=1S/C25H38S2/c1-5-9-11-19(7-3)17-25(18-20(8-4)12-10-6-2)21-13-15-26-23(21)24-22(25)14-16-27-24/h13-16,19-20H,5-12,17-18H2,1-4H3
    InChI Key
    NUCIQEWGTLOQTR-UHFFFAOYSA-N
    Complexity
    394
    Covalently-Bonded Unit Count
    1
    Exact Mass
    402.241494g/mol
    Formal Charge
    0
    Heavy Atom Count
    27
    Monoisotopic Mass
    402.241494g/mol
    Rotatable Bond Count
    12
    XLogP3
    10.9
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