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  • p-Nitrothiophenol,4-Nitrothiophenol,4-Nitrobenzenethiol ,Benzenethiol,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    p-Nitrothiophenol
    4-Nitrothiophenol
    4-Nitrobenzenethiol
    Benzenethiol, 4-nitro-
    4-Nitrothiophenolate
    p-Nitrophenyl mercaptan
    Benzenethiol, p-nitro-
    P-NITROBENZENETHIOL
    CCRIS 2340
    NCIOpen2_000175

    [Structure]
    p-Nitrothiophenol,4-Nitrothiophenol,4-Nitrobenzenethiol ,Benzenethiol,

    [ Properties Computed from Structure]
    Molecular Weight155.1744 [g/mol]
    Molecular FormulaC6H5NO2S
    XLogP2.3
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count0
    Tautomer Count2
    Exact Mass155.004099
    MonoIsotopic Mass155.004099
    Topological Polar Surface Area43.1
    Heavy Atom Count10
    Formal Charge0
    Complexity126
    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: 4-nitrobenzenethiol
    Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])S
    InChI: InChI=1/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H

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