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  • [Synonyms]
    NSC 141255
    NSC141255
    LS-105359
    8-Chloro-10-(2-(2-(dimethylamino)ethylthio)acetyl)phenothiazine hydrochloride
    Phenothiazine, 2-chloro-10-(2-(dimethylamino)ethylthio)acetyl-, hydrochloride
    4377-16-6
    8-Chloro-10-[2-[2-(dimethylamino)ethylthio]acetyl]phenothiazine hydrochloride
    Phenothiazine, 2-chloro-10-[[[2-(dimethylamino)ethyl]thio]acetyl]-, hydrochloride
    Phenothiazine, 8-chloro-10-[2-[2-(dimethylamino)ethylthio]acetyl]-, hydrochloride

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight415.4002 [g/mol]
    Molecular FormulaC18H20Cl2N2OS2
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count5
    Exact Mass414.03941
    MonoIsotopic Mass414.03941
    Topological Polar Surface Area23.6
    Heavy Atom Count25
    Formal Charge0
    Complexity437
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-(2-dimethylaminoethylsulfanyl)ethanone
    hydrochloride
    Canonical SMILES: CN(C)CCSCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
    InChI: InChI=1/C18H19ClN2OS2.ClH/c1-20(2)9-10-23-12-18(22)21-14-5-3-4-6-16(14)
    24-17-8-7-13(19)11-15(17)21;/h3-8,11H,9-10,12H2,1-2H3;1H



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