2-thenoylacetic aldehyde 4-methylthiosemicarbazone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-thenoylacetic aldehyde 4-methylthiosemicarbazone
• 英文别名: 1-Methyl-3-[(3-oxo-3-thiophen-2-ylpropylidene)amino]thiourea
• 化学式: C₉H₁₁N₃OS₂
• 分子量: 241.338
• InChiKey: WZQAVUWKWYAJGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(thiophen-2-yl)prop-2-yn-1-one 、 4-甲基氨基硫脲 以 乙醇 为溶剂， 反应 2.0h， 以18%的产率得到1,1-bis(2-thenoylvinyl)-4-methylthiosemicarbazide
  参考文献：
  名称：

  Interaction of thermal acylacetylenes with thiosemicarbazide and 4-methyl- and 4-phenylthiosemicarbazides

  摘要：

  By the reaction of thiosemicarbazide and 4-methyl- and 4-phenylthiosemicarbazides with terminal alpha-acetylenic ketones, depending on the conditions, thiosemicarbazones of acylacetic aldehyde, 1,1-bis(acylvinyl)thiosemicarbazides, and 5-phenylamino-2-acylmethyl-3-acylvinyl-1,3,4-thiadiazolines are obtained. Ring-chain tautomerism of the 1,1-bis(acylvinyl)thiosemicarbazides has been investigated.

  DOI：

  10.1007/bf00864342

文献信息

• Interaction of thermal acylacetylenes with thiosemicarbazide and 4-methyl- and 4-phenylthiosemicarbazides
  作者：T. E. Glotova、A. S. Nakhmanovich、L. S. Romanenko、M. V. Sigalov

  DOI：10.1007/bf00864342

  日期：1992.8

  By the reaction of thiosemicarbazide and 4-methyl- and 4-phenylthiosemicarbazides with terminal alpha-acetylenic ketones, depending on the conditions, thiosemicarbazones of acylacetic aldehyde, 1,1-bis(acylvinyl)thiosemicarbazides, and 5-phenylamino-2-acylmethyl-3-acylvinyl-1,3,4-thiadiazolines are obtained. Ring-chain tautomerism of the 1,1-bis(acylvinyl)thiosemicarbazides has been investigated.