bis(4-methylpentan-2-onato-C(4),O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV) | 374566-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: bis(4-methylpentan-2-onato-C(4),O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV)
• 英文别名: 4-methylpentan-2-one;2-sulfanylidene-1,3-dithiole-4,5-dithiolate;tin(4+)
• CAS: 374566-78-6
• 化学式: C₁₅H₂₂O₂S₅Sn
• 分子量: 513.378
• InChiKey: GDACNPRQLKDRQV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  dichlorobis(4-methylpentan-2-onato-C(4),O)tin(IV) 、 Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate 以 丙酮 为溶剂， 生成 bis(4-methylpentan-2-onato-C(4),O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV)
  参考文献：
  名称：

  Dichlorobis(4-methylpentan-2-onato-C⁴,O)tin(IV) and bis(4-methylpentan-2-onato-C⁴,O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S′)tin(IV) at 150 K

  摘要：

  The structures of the ketotins determined here, [SnCl2(C6H11O)(2)] and [Sn(C3S5)(C6H11O)(2)], respectively, along with that previously reported for [MeC(O)CH2C-Me-2](2)SnI2, are compared with the structures of the analogous estertins [MeOC(O)CH2CH2]2(S)nX(2). Pairwise comparison of the mean ketotin [estertin] Sn-X and Sn-O distances as Sn-X 2.4422 (4) [2.4054 (7) Angstrom], 2.4970 (4) [2.471 (2) Angstrom] and 2.8463 (4) [2.7788 (8) Angstrom] and Sn-O 2.4926 (12) [2.528 (1) Angstrom], 2.6110 (11) [2.629 (7) Angstrom] and 2.435 (3) [2.525 (4) Angstrom] (for X = Cl, S and I, respectively) clearly demonstrates the superior donor ability of the ketotin O atom in chelate formation.

  DOI：

  10.1107/s0108270101009659