N-(2-methoxyphenyl)-2-(thiophen-2-ylcarbonyl)hydrazinecarbothioamide | 516458-34-7

• 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-(2-methoxyphenyl)-2-(thiophen-2-ylcarbonyl)hydrazinecarbothioamide
• 英文别名: 1-(2-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
• CAS: 516458-34-7
• 化学式: C₁₃H₁₃N₃O₂S₂
• mdl: MFCD03760134
• 分子量: 307.397
• InChiKey: SLWIYFMSPYTQBF-UHFFFAOYSA-N

物化性质

• 熔点：
  167-169 °C(Solv: ethanol (64-17-5))
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-methoxyphenyl)-2-(thiophen-2-ylcarbonyl)hydrazinecarbothioamide 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.0h， 以87%的产率得到4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol
  参考文献：
  名称：

  Chemical and Pharmacological Properties of 3-(Thiophen-2-yl)-4-substituted-Δ²-1,2,4-triazoline-5-thiones

  摘要：

  Three 3-(thiophen-2-yl)-4-substituted-Delta(2)-1,2,4-triazoline-5-thiones were synthesized by intramolecular cyclization of 1-(thiophen-2-ylcarbonyl)-4-substituted thiosemicarbazides in alkaline medium. Their effects on the central nervous system (CNS) of mice in some behavioral tests were investigated. All investigated compounds displayed antinociceptive activity. The correlation between the structural features and bioactivity has been discussed.

  DOI：

  10.1080/10426500801968136
• 作为产物：
  描述：

  2-噻吩甲酰肼 、 异氰酸2-甲氧苯酯 反应 12.0h， 以89%的产率得到N-(2-methoxyphenyl)-2-(thiophen-2-ylcarbonyl)hydrazinecarbothioamide
  参考文献：
  名称：

  Chemical and Pharmacological Properties of 3-(Thiophen-2-yl)-4-substituted-Δ²-1,2,4-triazoline-5-thiones

  摘要：

  Three 3-(thiophen-2-yl)-4-substituted-Delta(2)-1,2,4-triazoline-5-thiones were synthesized by intramolecular cyclization of 1-(thiophen-2-ylcarbonyl)-4-substituted thiosemicarbazides in alkaline medium. Their effects on the central nervous system (CNS) of mice in some behavioral tests were investigated. All investigated compounds displayed antinociceptive activity. The correlation between the structural features and bioactivity has been discussed.

  DOI：

  10.1080/10426500801968136

文献信息

• Chemical and Pharmacological Properties of 3-(Thiophen-2-yl)-4-substituted-Δ²-1,2,4-triazoline-5-thiones
  作者：Agata Siwek、Monika Wujec、Maria Dobosz、Ewa Jagiełło-Wójtowicz、Agnieszka Kleinrok、Anna Chodkowska、Piotr Paneth

  DOI：10.1080/10426500801968136

  日期：2008.10.7

  Three 3-(thiophen-2-yl)-4-substituted-Delta(2)-1,2,4-triazoline-5-thiones were synthesized by intramolecular cyclization of 1-(thiophen-2-ylcarbonyl)-4-substituted thiosemicarbazides in alkaline medium. Their effects on the central nervous system (CNS) of mice in some behavioral tests were investigated. All investigated compounds displayed antinociceptive activity. The correlation between the structural features and bioactivity has been discussed.