6,6-diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione | 455260-95-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6,6-diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione
• CAS: 455260-95-4
• 化学式: C₁₇H₁₄S₅Sn
• 分子量: 497.338
• InChiKey: ADVLSQWNZHQSEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  、 Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate 以 丙酮 为溶剂， 生成 6,6-diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione
  参考文献：
  名称：

  6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6′-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene]-2,2′-dithione

  摘要：

  The title compounds, [Sn(C(6)H(5))(2)(C(5)H(4)S(5))] and [Sn(C(5)H(4)S(5))(2)], respectively, are of interest because they can be regarded as intermediate in nature between chelates and heterocyclic compounds containing the C(3)S(5) fragment. In contrast with the essentially normal bond lengths and angles within the molecules, the molecular conformations are somewhat unexpected, as are the intermolecular contacts found in the case of the latter compound.

  DOI：

  10.1107/s0108270102007898