deuterated 2-thiophenecarboxylic hydrazide | 896720-82-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: deuterated 2-thiophenecarboxylic hydrazide
• CAS: 896720-82-4
• 化学式: C₅H₆N₂OS
• 分子量: 145.158
• InChiKey: SOGBOGBTIKMGFS-ZRLBSURWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.12
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  deuterated 2-thiophenecarboxylic hydrazide 、 zinc(II) chloride 以 乙醇 为溶剂， 生成 [Zn(deuterated 2-thiophenecarboxylic hydrazide)3][ZnCl4]
  参考文献：
  名称：

  Reinvestigation of zinc(II) complexation by 2-thiophenecarboxylic hydrazide: X-ray structure of tris(2-thiophenecarboxyhydrazide)zinc(II) tetrachlorozincate(II) di(ethanol) and vibrational spectroscopy of its decomposition product

  摘要：

  Reaction of ZnCl2 and 2-thiophenecarboxylic hydrazide (tch), in ethanol resulted in the crystalline product [Zn(tch)(3)][ZnCI4] (.) 2EtOH, which slowly decomposes losing solvent molecules. The structure of the first compound has been determined by the single crystal X-ray method. Analysing the IR spectra of both compounds it has been found that the complex [Zn(tch)3](2+) cation and [ZnCl4](2+) anion are preserved after crystal decomposition. Vibrational spectra of the obtained substances were interpreted with the assistance of DFT calculations and metal isotope as well as deuterium replacement. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.01.027