5-((trimethylstannyl)thio)-4H-1,2,4-triazol-3-amine | 934612-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-((trimethylstannyl)thio)-4H-1,2,4-triazol-3-amine
• CAS: 934612-63-2
• 化学式: C₅H₁₂N₄SSn
• 分子量: 278.953
• InChiKey: QCGSKQGQCZTDHS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  67.59
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-amino-1H-1,2,4-triazole-5-thiol 、 三甲基氯化锡 在 EtONa 作用下， 以 苯 为溶剂， 以76%的产率得到5-((trimethylstannyl)thio)-4H-1,2,4-triazol-3-amine
  参考文献：
  名称：

  The structural chemistry of triorganotin(IV) derivatives of 3-amino-5-mercapto-1,2,4-triazole: Supramolecular structures involving intermolecular N–H⋯N and N–H⋯S hydrogen bonding

  摘要：

  Four new triorganotin complexes of 3-amino-5-mercapto-1,2,4-triazole with the type of R3Sn(SC2N3HNH2-3) (R = Me, 1; n-Bu, 2; Ph, 3; PhCH2, 4) have been synthesized. All the complexes have been characterized by elemental analysis, IR, H-1 NMR and C-13 NMR spectra. Complexes 1, 3 and 4 have been characterized by X-ray crystallography analyses too. The geometry about Sn of complex I is distorted trigonal bipyramidal and the supramolecular structures of complex 1 has been found consist of channels built up by intermolecular N-H center dot center dot center dot N hydrogen bonding. The geometry of tin atoms in complexes 3 and 4 are distorted tetrahedron and I D polymers connected by intermolecular N-H center dot center dot center dot N hydrogen bonding or N-H center dot center dot center dot N and N-H center dot center dot center dot S hydrogen bonding. Additionally, ID polymer of complex 3 aggregated in 2D layer by intermolecular N-H center dot center dot center dot S hydrogen bonding. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.06.045