登录 免费注册 发布信息
咨询热线：028-85335741
药品资讯网--新药研发行业门户!
您现在的位置：药品资讯网 > 专业资料首页 > 健康论文数据库 > [4-oxo-4-(2,4,6-trimethylphenyl)butyl]sulfanylmethanimidamide,Canonic

  • [4-oxo-4-(2,4,6-trimethylphenyl)butyl]sulfanylmethanimidamide,Canonic
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]
    [4-oxo-4-(2,4,6-trimethylphenyl)butyl]sulfanylmethanimidamide,Canonic

    [ Properties Computed from Structure]
    Molecular Weight264.3864 [g/mol]
    Molecular FormulaC14H20N2OS
    XLogP3.5
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count6
    Tautomer Count2
    Exact Mass264.129634
    MonoIsotopic Mass264.129634
    Topological Polar Surface Area66.9
    Heavy Atom Count18
    Formal Charge0
    Complexity294
    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-oxo-4-(2,4,6-trimethylphenyl)butyl]sulfanylmethanimidamide
    Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=O)CCCSC(=N)N)C
    InChI: InChI=1/C14H20N2OS/c1-9-7-10(2)13(11(3)8-9)12(17)5-4-6-18-14(15)16/h7-
    8H,4-6H2,1-3H3,(H3,15,16)/f/h15H,16H2/b15-14+

赞助商链接

健康论文数据库
推荐专业资料
赞助商链接