formaldehydethiocarbonohydrazone | 89093-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: formaldehydethiocarbonohydrazone
• 英文别名: 1,2,4,5-Tetrazinane-3-thione
• CAS: 89093-71-0
• 化学式: C₂H₆N₄S
• 分子量: 118.162
• InChiKey: ZCWZNGWYQSOGEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.2
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 硫代卡巴肼 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 formaldehydethiocarbonohydrazone
  参考文献：
  名称：

  Structural assignment of monothiocarbonohydrazones by1H NMR spectroscopy

  摘要：

  AbstractAnalysis of the 1H NMR spectra of several monothiocarbonohydrazones, some of them synthesized for the first time, shows that they exist as two structural isomers. Whereas, in general, the derivatives of aromatic aldehydes conform to a linear structure, the aliphatic carbonyl derivatives conform to heterocyclic or linear structures, depending on the size of the substituent groups. This dual behaviour is explained in terms of extended conjugation and steric hindrance.

  DOI：

  10.1002/mrc.1270220103

文献信息

• Structural assignment of monothiocarbonohydrazones by1H NMR spectroscopy
  作者：G. Rajendran、Sampat R. Jain

  DOI：10.1002/mrc.1270220103

  日期：1984.1

  AbstractAnalysis of the 1H NMR spectra of several monothiocarbonohydrazones, some of them synthesized for the first time, shows that they exist as two structural isomers. Whereas, in general, the derivatives of aromatic aldehydes conform to a linear structure, the aliphatic carbonyl derivatives conform to heterocyclic or linear structures, depending on the size of the substituent groups. This dual behaviour is explained in terms of extended conjugation and steric hindrance.