cis-dichlorobis(N,N-diethyldithiocarbamato-S,S')tin(IV)

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: cis-dichlorobis(N,N-diethyldithiocarbamato-S,S')tin(IV)
• 化学式: 2C₅H₁₀NS₂*2Cl*Sn
• 分子量: 486.162
• InChiKey: GNCRTCFDCRBUQA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.22
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  2-硫脲嘧啶 、 cis-dichlorobis(N,N-diethyldithiocarbamato-S,S')tin(IV) 在 2-硫脲嘧啶 作用下， 以 二甲基亚砜 为溶剂， 生成 methylene-bis(diethyldithiocarbamate)
  参考文献：
  名称：

  A New Bis(dithioester): Methanediyl Bis(N,N-diethyldithiocarbamate), Derived fromcis-Dichlorobis(N,N-diethyldithiocarbamato-S,S')tin(IV)

  摘要：

  The title compound, C11H22N2S4 [or CH2(Et2DTC)(2), where DTC is dithiocarbamate], was unexpectedly obtained during studies on the reactivity of cis-dichlorobis(N,N-diethyldithiocarbamato-S,S')tin(IV) {cis[Cl2Sn(Et2DTC)(2)]} with 2-thiouracil in dimethyl sulfoxide. The X-ray structural analysis of the title compound shows that two N,N-diethyldithiocarbamate units are linked together through a methylene C atom, so that the compound can be described as a dithioester, where the -CH2(N,N-diethyldithiocarbamate) group itself constitutes the esteric organic radical. Structural parameters and IR spectra are in agreement with the crystal chemistry of this class of compounds. Of major interest is the methylene C atom, which presents an S-CH2-S angle of 116.9(2)degrees, larger than the ideal tetrahedral value of 109.47 degrees.

  DOI：

  10.1107/s0108270198000924