(((2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methylene)-l4-sulfaneyl)mercury(III) iodide | 340737-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (((2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methylene)-l4-sulfaneyl)mercury(III) iodide
• CAS: 340737-00-0
• 化学式: C₆H₈HgI₂N₄S
• 分子量: 622.621
• InChiKey: MUGZRDQFNAJFOG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.81
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.2
• 氢给体数：
  3.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-(1H-pyrrol-2-ylmethylene)hydrazinecarbothioamide 、 mercury(II) iodide 以 乙醇 为溶剂， 以91%的产率得到(((2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methylene)-l4-sulfaneyl)mercury(III) iodide
  参考文献：
  名称：

  Synthesis and structural characterization of complexes of Zn(II), Cd(II) and Hg(II) halides with 2-formylpyrrole thiosemicarbazone and 2-acetylpyrrole thiosemicarbazone

  摘要：

  Reaction of 2-[1-(pyrrol-2-yl)methylidenelhidrazine carbothioamide (L-1) and 2-[1-(pyrrol-2-yl)ethylidene]hidrazine carbothioamide (L-2) with zinc(II) cadmium(II) and mercury(II) halides afforded complexes with formulae [M(L-1)(2)X-2] [M, X = Zn, Cl (I); Cd, Cl (4); Hg, CI (7); Hg, Br (8); Hg, I (9)], [M(L-1)(2)X-2] [M, X = Zn, Br (2); Zn, I (3); Cd, Br (5); Cd, I (6)], [M(L-2)X-2] [M, X = Cd, Cl (13); Hg, Cl (16); Hg, Br (17); Hg, I (18)] and [M(L-2)(2)X-2] [M, X = Zn, Cl (10); Zn, Br (11); Zn, I (12); Cd, Br (14); Cd, I (15)]. Crystals of 5, 18 and 15 . CH3CN were studied by X-ray diffractometry, and all the new compounds were characterized by elemental analysis, mass spectrometry, IR and H-1 and C-13 NMR spectroscopy and, when pertinent and allowed by the solubility of the compounds, Cd-113 or Hg-199 NMR spectroscopy. In these complexes, the metal atoms are tetra-coordinate and the ligands are neutral and S-monodentate. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00645-8