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  • [Synonyms]
    NSC273896
    AIDS128420
    AIDS-128420
    Disulfide, bis[N(benzothiazol-2-yl)-2-aminoethyl]
    N-(1,3-Benzothiazol-2-yl)-N-(2-((2-(1,3-benzothiazol-2-ylamino)ethyl)dithio)ethyl)amine
    N-(2-((2-(1,3-Benzothiazol-2-ylamino)ethyl)dithio)ethyl)-1,3-benzothiazol-2-amine

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight418.62232 [g/mol]
    Molecular FormulaC18H18N4S4
    XLogP4.2
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count9
    Tautomer Count3
    Exact Mass418.041429
    MonoIsotopic Mass418.041429
    Topological Polar Surface Area49.8
    Heavy Atom Count26
    Formal Charge0
    Complexity392
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[2-[2-(1,3-benzothiazol-2-ylamino)ethyldisulfanyl]ethyl]-1,
    3-benzothiazol-2-amine
    Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)NCCSSCCNC3=NC4=CC=CC=C4S3
    InChI: InChI=1/C18H18N4S4/c1-3-7-15-13(5-1)21-17(25-15)19-9-11-23-24-12-10-20-
    18-22-14-6-2-4-8-16(14)26-18/h1-8H,9-12H2,(H,19,21)(H,20,22)/f/h19-20H



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