triphenyl(6-thiopurinyl)tin(IV) | 96692-60-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: triphenyl(6-thiopurinyl)tin(IV)
• 英文别名: 1H-Purine, 6-[(triphenylstannyl)thio]-；triphenyl(7H-purin-6-ylsulfanyl)stannane
• CAS: 96692-60-3
• 化学式: C₂₃H₁₈N₄SSn
• 分子量: 501.199
• InChiKey: CRQOPCUOZLHKHR-UHFFFAOYSA-M

物化性质

• 沸点：
  549.8±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三苯基氯化锡 、 6-mercaptopurine 在 sodium methoxide 作用下， 以 甲醇 为溶剂， 以72%的产率得到triphenyl(6-thiopurinyl)tin(IV)
  参考文献：
  名称：

  An exact coordination mode of 6-thiopurine with an organotin(IV): preparation and crystal structure of triphenyl(6-thiopurinyl)tin(IV)

  摘要：

  Triphenyl(6-thiopurinyl)tin has been prepared and its structure reinvestigated by X-ray diffraction. In the structure, a new coordination mode was observed that was different from those reported previously from investigations by infrared and Mossbauer spectroscopy. In the molecule, 6-thiopurine coordinated to tin by the S and N(1) atoms. The discrete molecules were connected to form a zigzag ID network through intermolecular (HN)-N-... hydrogen bonds. The tin environment is pentacoordinated with cis-trigonal bipyramidal geometry. (C) 2004 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2004.03.002