N,N-dimethyl-1-(N,N-dimethylamino)ethylideneaminothioamide | 139670-78-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethyl-1-(N,N-dimethylamino)ethylideneaminothioamide
• 英文别名: 3-[1-(Dimethylamino)ethylidene]-1,1-dimethylthiourea；3-[1-(dimethylamino)ethylidene]-1,1-dimethylthiourea
• CAS: 139670-78-3
• 化学式: C₇H₁₅N₃S
• 分子量: 173.282
• InChiKey: BATDBURDIROQFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  50.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  benzyl N-[1-(dimethylamino)ethylidene]carbamodithioate 、 二甲胺 以 二氯甲烷 为溶剂， 反应 12.0h， 以80%的产率得到N,N-dimethyl-1-(N,N-dimethylamino)ethylideneaminothioamide
  参考文献：
  名称：

  2,4-Substituted-3-aza-1-thiabutadienes: a conformational study by dipolmetry

  摘要：

  Dipole moments of fifteen 2,4-substituted 4-N,N-dimethylamino-3-aza-1-thia(oxa)butadienes were measured in carbon tetrachloride solution. Calculations of molecular moments for five compounds in the sp (C = S and N = C on the same side) and ap conformations were performed according to the bond moment model. A comparison of calculated values with the experimental ones shows that the sp conformation is favoured in the solutions studied, in accordance with the reactivity observed for 4 + 2 cycloadditions.

  DOI：

  10.1016/0022-2860(92)80250-l