sodium;2,4,6-trioxo-1,3-diazinane-1-carbodithioate | 590423-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: sodium;2,4,6-trioxo-1,3-diazinane-1-carbodithioate
• CAS: 590423-48-6
• 化学式: C₅H₃N₂O₃S₂*Na
• 分子量: 226.212
• InChiKey: WYMGFSIWDUBEMO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.71
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  66.48
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  sodium;2,4,6-trioxo-1,3-diazinane-1-carbodithioate 、 三氯化铬 以 甲醇 为溶剂， 以40%的产率得到chromium(3+);2,4,6-trioxo-1,3-diazinane-1-carbodithioate
  参考文献：
  名称：

  Synthesis and Characterization of 2,4,6‐Pyrimidinetrione Dithiocarbamate Complexes and 2,4,6‐Pyrimidinetrione Dithiocarbamate Macrocyclic Complexes

  摘要：

  The sodium salts of pyrimidinetrione dithiocarbamate (NaL1) and pyrimidinetrione dithiocarbamate (Na2L2) and their first row-transition metal complexes of the type [M(L-1)(2)], [M'(L-1)(3)] and [M-2(L-2)(2)], where M=Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and M'=Cr(III), Fe(III) have been synthesized and characterized. Spectroscopic studies suggest that the interaction of L-2 with a divalent metal ion forms binuclear dithiocarbamate macrocyclic complexes. Conductivity measurements reveal that all of the complexes are non-electrolytes. The magnetic moment values and electronic spectra suggest that the Mn(II) and Co(II) complexes are tetrahedral, the Ni(II) and Cu(II) complexes are square-planar while the Fe(III) and Cr(III) complexes are proposed to have an octahedral structure.

  DOI：

  10.1081/sim-120020324