N-Ethyl-2-(4-hydroxybenzoyl)hydrazinecarbothioamide | 26036-21-5

• 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: N-Ethyl-2-(4-hydroxybenzoyl)hydrazinecarbothioamide
• 英文别名: 1-ethyl-3-[(4-hydroxybenzoyl)amino]thiourea
• CAS: 26036-21-5
• 化学式: C₁₀H₁₃N₃O₂S
• mdl: MFCD00034317
• 分子量: 239.298
• InChiKey: VNYXBGOZMMLQER-UHFFFAOYSA-N

物化性质

• 密度：
  1.301±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-Ethyl-2-(4-hydroxybenzoyl)hydrazinecarbothioamide 在 sodium hydroxide 作用下， 反应 2.0h， 生成 4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones

  摘要：

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.

  DOI：

  10.1080/104265090517280
• 作为产物：
  描述：

  异硫氰酸乙酯 、 4-羟基苯甲酰肼 以 乙醇 为溶剂， 反应 0.5h， 生成 N-Ethyl-2-(4-hydroxybenzoyl)hydrazinecarbothioamide
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones

  摘要：

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.

  DOI：

  10.1080/104265090517280

文献信息

• Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones
  作者：Henryk Foks、Mieczyslaw Janowiec、Zofia Zwolska、Ewa Augustynowicz-Kopeć

  DOI：10.1080/104265090517280

  日期：2005.2

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.