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  • LS-65999,S-2-((4-(p-Methoxyphenyl)butyl)amino)ethyl hydrochloride,Etha
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    LS-65999
    S-2-((4-(p-Methoxyphenyl)butyl)amino)ethyl hydrochloride
    Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-, hydrochloride
    38914-81-7

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight275.83788 [g/mol]
    Molecular FormulaC13H22ClNOS
    H-Bond Donor2
    H-Bond Acceptor2
    Rotatable Bond Count8
    Exact Mass275.111063
    MonoIsotopic Mass275.111063
    Topological Polar Surface Area21.3
    Heavy Atom Count17
    Formal Charge0
    Complexity158
    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: 2-[4-(4-methoxyphenyl)butylamino]ethanethiol hydrochloride
    Canonical SMILES: COC1=CC=C(C=C1)CCCCNCCS.Cl
    InChI: InChI=1/C13H21NOS.ClH/c1-15-13-7-5-12(6-8-13)4-2-3-9-14-10-11-16;/h5-8,
    14,16H,2-4,9-11H2,1H3;1H

    ChemDrug版权识别码:247250218228507347
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