Zn(2-(dimethylamino)ethanethiolate)Cl | 16061-12-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Zn(2-(dimethylamino)ethanethiolate)Cl
• CAS: 16061-12-4
• 化学式: C₄H₁₀NS*Cl*Zn
• 分子量: 205.039
• InChiKey: OOMGTJPDSSHTER-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  8.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Zn(2-(dimethylamino)ethanethiolate)Cl 、 2-(二甲基氨基)乙硫醇钠 以 甲醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structures of tetranuclear 2-(dimethylamino)ethanethiolato complexes of zinc, cadmium and mercury involving both primary and secondary metal–halogen bonding

  摘要：

  Two series of complexes of Zn, Cd and Hg with 2-(dimethylamino)ethanethiolate (L) ligands have been prepared. Complexes [M4L4X4] (series I) (X = Cl or Br) are obtained from anhydrous MX2, HL.HX and triethylamine in acetonitrile, and also from the metal acetate, HL.HX and sodium hydroxide in aqueous solution. Treatment of [Cd4L4X4] with NaL in acetonitrile-methanol gives [Cd4L6X2] (series II, Cd only). The structures of two complexes of series I, [Cd4L4Br4] 1 and [Hg4L4Cl4] 2, and of the series II complex [Cd4L6Cl2] 3, have been determined crystallographically, and are probably representative of the two series. All have a central centrosymmetric M4S4 eight-membered ring in an extended-chair conformation with two opposite M atoms disposed one on each side of the M'2S4 plane, and with aminothiolate ligands which are both S,N-chelating to M' atoms and S-bridging between M and M' atoms. The additional L ligands in 3 chelate the out-of-plane M atoms. The halogen atoms in 1 and 2 are terminally bonded to the M atoms, but two of them are also weakly bonded to both M' atoms to give incipient triple bridging. In complex 3 and Cl atoms bridge the two M' atoms and are only weakly bonded to one M atom each. These patterns of primary and secondary M-X bonding are compared with those in other structures having a similar central X2M2M'2S4 core.

  DOI：

  10.1039/dt9910002511