[cadmium(II)(N,N,N',N'-tetramethylthiourea)2I2] | 15280-96-3

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [cadmium(II)(N,N,N',N'-tetramethylthiourea)2I2]
• 英文别名: cadmium(2+);1,1,3,3-tetramethylthiourea;diiodide
• CAS: 15280-96-3
• 化学式: C₁₀H₂₄CdI₂N₄S₂
• 分子量: 630.678
• InChiKey: RONPGUNNPKJNPS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.21
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  四甲基硫脲 、 cadmium(II) iodide 以 甲醇 、 水 为溶剂， 生成 [cadmium(II)(N,N,N',N'-tetramethylthiourea)2I2]
  参考文献：
  名称：

  Synthesis and structural characterization of cadmium(II) complexes of tetramethylthiourea (Tmtu); X-ray structure of [Cd(Tmtu)2Cl2]

  摘要：

  The spectral characterization of cadmium(II) complexes of the general formula [Cd(Tmtu)(2)X-2] (Tmtu = tetramethylthiourea, X = Cl-, Br-, I-, and SCN-) as well as the X-ray structure of one of them, [Cd(Tmtu)(2)Cl-2] (I) is described. In (I), the cadmium atom lies on a twofold rotation axis and has a distorted tetrahedral coordination environment defined by two S atoms of telramelhylthioures (Tmtu) ligands and two chloride ions. The crystal structure is stabilized by non-classical intramolecular C-Ha <-N and C-Ha <-S hydrogen bonding interactions involving the methyl H and sulfur or nitrogen atoms. The spectroscopic data were discussed in terms of the nature of bonding.

  DOI：

  10.1134/s1070328412060085