monopropiophenone thiocarbonohydrazone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: monopropiophenone thiocarbonohydrazone
• 化学式: C₁₀H₁₄N₄S
• 分子量: 222.314
• InChiKey: XNBNXZDZUUOTSI-UKTHLTGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.14
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  62.44
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  monopropiophenone thiocarbonohydrazone 以 氘代二甲亚砜 为溶剂， 反应 48.0h， 生成 6-Ethyl-6-phenyl-[1,2,4,5]tetrazinane-3-thione
  参考文献：
  名称：

  Unusual structural isomerization of monopropiophenone thiocarbonohydrazone

  摘要：

  AbstractMonopropiophenone thiocarbonohydrazone has been isolated in both linear and cyclic isomeric forms. Each form has been shown to isomerize and exist in equilibrium with the other in DMSO‐d6 solution by 1H and 13C NMR spectroscopy. The kinetics of this transformation show attainment of equilibrium in approximately 6 h, with a linear to cyclic configuration ratio of 40:60.

  DOI：

  10.1002/mrc.1270220905
• 作为产物：
  描述：

  硫代卡巴肼 、 苯丙酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以91%的产率得到monopropiophenone thiocarbonohydrazone
  参考文献：
  名称：

  Unusual structural isomerization of monopropiophenone thiocarbonohydrazone

  摘要：

  AbstractMonopropiophenone thiocarbonohydrazone has been isolated in both linear and cyclic isomeric forms. Each form has been shown to isomerize and exist in equilibrium with the other in DMSO‐d6 solution by 1H and 13C NMR spectroscopy. The kinetics of this transformation show attainment of equilibrium in approximately 6 h, with a linear to cyclic configuration ratio of 40:60.

  DOI：

  10.1002/mrc.1270220905

文献信息

• Unusual structural isomerization of monopropiophenone thiocarbonohydrazone
  作者：G. Rajendran、Sampat R. Jain

  DOI：10.1002/mrc.1270220905

  日期：1984.9

  AbstractMonopropiophenone thiocarbonohydrazone has been isolated in both linear and cyclic isomeric forms. Each form has been shown to isomerize and exist in equilibrium with the other in DMSO‐d6 solution by 1H and 13C NMR spectroscopy. The kinetics of this transformation show attainment of equilibrium in approximately 6 h, with a linear to cyclic configuration ratio of 40:60.