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  • [Synonyms]
    Thiuram disulfate analog
    NSC93057
    AIDS032894
    AIDS-032894
    NSC 93057
    2946-03-4
    (3-(2,2-Dimethyl(1,3-dioxolan-4-yl))-7,7-dimethyl-4,6,8-trioxabicyclo(3.3.0)oct-2-yloxy)(((3-(2,2-dimethyl(1,3-dioxolan-4-yl))-7,7-dimethyl-4,6,8-trioxabicyclo(3.3.0)oct-2-yloxy)thioxomethyl)disulfanyl)methane-1-thione
    [3-(2,2-Dimethyl(1,3-dioxolan-4-yl))-7,7-dimethyl-4,6,8-trioxabicyclo[3.3.0]oct-2-yloxy]({[3-(2,2-dimethyl(1,3-dioxolan-4-yl))-7,7-dimethyl-4,6,8-trioxabicyclo[3.3.0]oct-2-yloxy]thioxomethyl}disulfanyl)methane-1-thione

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight670.83272 [g/mol]
    Molecular FormulaC26H38O12S4
    XLogP2.5
    H-Bond Donor0
    H-Bond Acceptor12
    Rotatable Bond Count9
    Exact Mass670.124609
    MonoIsotopic Mass670.124609
    Topological Polar Surface Area111
    Heavy Atom Count42
    Formal Charge0
    Complexity990
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count10
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: O-[[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,
    6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl]]
    [5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,
    6a-tetrahydrofuro[4,5-d][1,
    3]dioxol-6-yl]oxycarbothioyldisulfanylmethanethioate
    Canonical SMILES: CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OC(=S)SSC(=S)OC4C(OC5C4OC(O5)(C)C)C6COC
    (O6)(C)C)C
    InChI: InChI=1/C26H38O12S4/c1-23(2)27-9-11(33-23)13-15(17-19(29-13)37-25(5,
    6)35-17)31-21(39)41-42-22(40)32-16-14(12-10-28-24(3,
    4)34-12)30-20-18(16)36-26(7,8)38-20/h11-20H,9-10H2,1-8H3



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