(C6H5)2Sn(3-amino-5-mercapto-1,2,4-triazole)2 | 886587-31-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (C6H5)2Sn(3-amino-5-mercapto-1,2,4-triazole)2
• CAS: 886587-31-1
• 化学式: C₁₆H₁₆N₈S₂Sn
• 分子量: 503.199
• InChiKey: AKEIIUZADVQRKU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (C6H5)2Sn(3-amino-5-mercapto-1,2,4-triazole)2 在 氮 作用下， 以 solid 为溶剂， 生成 tin (II) sulfide
  参考文献：
  名称：

  Nath, Mala; Sulaxna, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2008, vol. 47, # 4, p. 510 - 516

  摘要：

  DOI：
• 作为产物：
  描述：

  二苯基二氯化锡 、 3-amino-1H-1,2,4-triazole-5-thiol 在 NaOCH₃ 作用下， 以 甲醇 为溶剂， 生成 (C6H5)2Sn(3-amino-5-mercapto-1,2,4-triazole)2
  参考文献：
  名称：

  Organotin(IV) triazolates: Synthesis and their spectral characterization

  摘要：

  Some organotin(IV) triazolates of general formula RnSn(L)(4-n) (where R = Me, n-Bu and Ph for n = 2; R = Me, n-Pr and n-Bu for n = 3 and HL = 3-amino-5-mercapto-1,2,4-triazole) have been synthesized by the reaction of R2SnCl2/R3SnCl with NaL in 1:2/1:1 molar ratio. Whereas, Oct(2)SnL(2) has been synthesized azeotropically by the reaction of Oct(2)SnO and HL in 1:2 molar ratio. As good single crystals were not obtained, a large number of experimental techniques, viz. U-V/Vis, IR, far-IR, multinuclear (H-1, C-13 and Sn-119) NMR and Sn-119 Mossbauer spectroscopic studies, were used to accomplish a definitive characterization and determination of their most probable structures. In these compounds triazole acts as a monoanionic bidentate ligand, coordinating through S-exo and N(4). The IR and Sn-119 Mossbauer spectroscopic studies allow us to deduce a highly distorted cis-trigonal-bipyramidal structure for R3SnL and a distorted skew trapezoidal-bipyramidal structure for R2SnL2, in the solid state. However, H-1, C-13 and Sn-119 NMR spectral studies revealed that weak bonding between tin and N(4) is further weakened in the solution leading to pseudo-tetrahedral/tetrahedral structure. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.11.047