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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight424.60538 [g/mol]
    Molecular FormulaC23H32N6S
    XLogP7.9
    H-Bond Donor1
    H-Bond Acceptor6
    Rotatable Bond Count11
    Tautomer Count2
    Exact Mass424.240916
    MonoIsotopic Mass424.240916
    Topological Polar Surface Area55.6
    Heavy Atom Count30
    Formal Charge0
    Complexity540
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count3
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N,
    N'-bis[(4-diethylaminophenyl)methylideneamino]-1-sulfanylmethanimidamide
    Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C=NNC(=NN=CC2=CC=C(C=C2)N(CC)CC)S
    InChI: InChI=1/C23H32N6S/c1-5-28(6-2)21-13-9-19(10-14-21)17-24-26-23(30)27-25-
    18-20-11-15-22(16-12-20)29(7-3)8-4/h9-18H,5-8H2,1-4H3,(H2,26,27,
    30)/f/h26,30H



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