3,3,7,7,11,11,15,15,19,19-decabutyl-2,4,6,8,10,12,14,16,18,20-decathia-3,7,11,15,19-pentastanna-1,5,9,13,17(2,5)-pentathiadiazolacycloicosaphane | 545357-54-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,3,7,7,11,11,15,15,19,19-decabutyl-2,4,6,8,10,12,14,16,18,20-decathia-3,7,11,15,19-pentastanna-1,5,9,13,17(2,5)-pentathiadiazolacycloicosaphane
• CAS: 545357-54-8
• 化学式: C₅₀H₉₀N₁₀S₁₅Sn₅
• 分子量: 1905.87
• InChiKey: UJCBOBQEDHXCBP-UHFFFAOYSA-D

计算性质

• 辛醇/水分配系数(LogP)：
  23.89
• 重原子数：
  80.0
• 可旋转键数：
  30.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  128.9
• 氢给体数：
  0.0
• 氢受体数：
  25.0

反应信息

• 作为产物：
  描述：

  二丁基二氯化锡 、 2,5-二巯基噻二唑 在 sodium ethoxide 作用下， 以 乙醇 为溶剂， 以72%的产率得到3,3,7,7,11,11,15,15,19,19-decabutyl-2,4,6,8,10,12,14,16,18,20-decathia-3,7,11,15,19-pentastanna-1,5,9,13,17(2,5)-pentathiadiazolacycloicosaphane
  参考文献：
  名称：

  Synthesis and crystal structure of a novel pentanuclear complex of tin (IV) with heterocyclic sulfur and nitrogen donor ligands

  摘要：

  A novel macrocyclic complex of organotin was synthesized by the reaction of dibutyltin dichloride with 2,5-dimercapto-1,3,4-thiodiazole. The title pentanuclear complex of tin is a 35-membered macrocycle. All five Sri atoms are six-coordinate, and have distorted octahedron geometries due to intramolecular Sn-N interactions. The title complex is characterized by Elemental analysis, IR, H-1-NMR spectroscopy and X-ray diffraction. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)02149-6