(N-adamantyldithiocarbamato)zinc(II) | 1313228-58-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 英文名称: (N-adamantyldithiocarbamato)zinc(II)
• CAS: 1313228-58-8
• 化学式: C₂₂H₃₂N₂S₄Zn
• 分子量: 518.163
• InChiKey: FECRJQJRRGNWAX-VKDYSZDSSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  24.06
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  zinc diacetate 、 (N-adamantyldithiocarbamato)potassium 以 甲醇 为溶剂， 生成 (N-adamantyldithiocarbamato)zinc(II)
  参考文献：
  名称：

  Synthesis and characterization of transition metal dithiocarbamate derivatives of 1-aminoadamantane: Crystal structure of (N-adamantyldithiocarbamato)nickel(II)

  摘要：

  Four bis(N-adamantyldithiocarbamato)metal(II) complexes [M(S2CNHC10H15)(2)] (M = Ni, Zn, Cd, and Hg) were prepared by metathesis of the corresponding potassium salt, K[S2CNHC10H15]. Characterization of the prepared complexes shown that the presence of only one band in the region 1000 cm (1) in IR spectra can be attributed to a completely symmetrical bonding of the dithiocarbamate ligand, acting in a symmetrical bidentate mode. Also the short thioureide C-N distance in X-ray analysis of Ni complex confirm the delocalization of the pi electrons over the S2CN moiety and strong double bond character. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.089