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  • Tetrakis(pentylthio)tetrathiafulvalene [Organic Electronic Material]

  • Tetrakis(pentylthio)tetrathiafulvalene [Organic Electronic Material]

    Catalog Number
    ACM106920290-2
    CAS Number
    106920-29-0
    Product Name
    Tetrakis(pentylthio)tetrathiafulvalene [Organic Electronic Material]
    Structure
    Category
    Molecular Conductors
    IUPAC Name
    2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole
    Molecular Weight
    613.2g/mol
    Molecular Formula
    C26H44S8
    Canonical SMILES
    CCCCCSC1=C(SC(=C2SC(=C(S2)SCCCCC)SCCCCC)S1)SCCCCC
    InChI
    InChI=1S/C26H44S8/c1-5-9-13-17-27-21-22(28-18-14-10-6-2)32-25(31-21)26-33-23(29-19-15-11-7-3)24(34-26)30-20-16-12-8-4/h5-20H2,1-4H3
    InChI Key
    LFXNQRWLTHGAND-UHFFFAOYSA-N
    Complexity
    560
    Covalently-Bonded Unit Count
    1
    Exact Mass
    612.120871g/mol
    Formal Charge
    0
    Heavy Atom Count
    34
    Monoisotopic Mass
    612.120871g/mol
    Rotatable Bond Count
    20
    XLogP3
    12.6
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