di-μ-chloro-bis[(2-ammoniobenzenethiolato-S)chloromercury(II)] | 208191-81-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: di-μ-chloro-bis[(2-ammoniobenzenethiolato-S)chloromercury(II)]
• 英文别名: 2-azaniumylbenzenethiolate;mercury(2+);tetrachloride
• CAS: 208191-81-5
• 化学式: C₁₂H₁₄Cl₄Hg₂N₂S₂
• 分子量: 793.381
• InChiKey: FKSPZFXZMCOCSK-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -11.06
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯并噻唑 、 mercury dichloride 以 乙醇 为溶剂， 生成 di-μ-chloro-bis[(2-ammoniobenzenethiolato-S)chloromercury(II)]
  参考文献：
  名称：

  Di-μ-chloro-bis[(2-ammoniobenzenethiolato-S)chloromercury(II)]

  摘要：

  The title compound, [Hg2Cl4(C6H7NS)(2)]. was obtained from the reaction of HgCl2 with benzothiazole and studied by X-ray diffraction and IR spectroscopy. The molecule is centrosymmetric, with Hg-mu-Cl distances of 2.720(1) and 2.976(1)Angstrom. The 2-aminobenzenethiol ligand (existing in a zwitterionic form) is bonded to mercury through the S atom, with an Hg-S distance of 2.340(2)Angstrom. There are N-H...Cl hydrogen bonds involving the bridging Cl atoms, as well as a bifurcated hydrogen bond involving the terminal Cl atoms.

  DOI：

  10.1107/s0108270197016788