cis-[(C6H5)2Sn[(CH3)2C4HN2S]2] | 35108-45-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: cis-[(C6H5)2Sn[(CH3)2C4HN2S]2]
• 英文别名: (4,6-dimethylpyrimidin-2-yl)sulfanyl-triphenylstannane
• CAS: 35108-45-3
• 化学式: C₂₄H₂₂N₂SSn
• 分子量: 489.228
• InChiKey: KSCQTDSFQHBCRR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,6-二甲基-2-巯基嘧啶 、 三苯基氯化锡 在 triethylamine 作用下， 以 四氢呋喃 为溶剂， 生成 cis-[(C6H5)2Sn[(CH3)2C4HN2S]2]
  参考文献：
  名称：

  Organotin(IV) complexes of 4,6-dimethylpyrimidine-2-thione, Me2PymtH. Preparation, characterization and crystal structure determination of cis-[Ph2Sn(Me2Pymt)2] and [Ph3Sn(Me2Pymt)]

  摘要：

  The coordination mode of the ambidentate ligand 4,6-dimethylpyrimidine-2-thione (Me(2)PymtH) was investigated with respect to the organotin(IV) compounds, namely Me2SnCl2, n-Bu2SnCl2, Ph2SnCl2 and Ph3SnCl. An X-ray crystal structure determination carried out on cis-[Ph2Sn(Me(2)Pymt)] (3) and [Ph3Sn(Me(2)Pymt)] (4) revealed that the Me(2)Pymt(-) ligand is N,S-coordinated in both complexes. The Sn(IV) atom is six-coordinated in 3 and five-coordinated in 4. The similarities observed in the IR, NMR (H-1, C-13) and mass spectroscopy are indicative of a similar behavior of the ligand in all the complexes, thus suggesting a six-coordination in the dimethyltin (1) derivative and five-coordination in the dibutyltin (2) one. The complexes were characterized by means of elemental analysis, IR, NMR (H-1, C-13) and mass spectroscopic methods. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(02)00996-8