2-(2-chlorobenzylidene)-N-methylhydrazinecarbothioamide

• 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: 2-(2-chlorobenzylidene)-N-methylhydrazinecarbothioamide
• 英文别名: 1-[(2-Chlorophenyl)methylideneamino]-3-methylthiourea
• 化学式: C₉H₁₀ClN₃S
• 分子量: 227.718
• InChiKey: KZYUNQIRGKDGDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氯苯甲醛 、 4-甲基氨基硫脲 以 甲醇 为溶剂， 反应 3.0h， 以93%的产率得到2-(2-chlorobenzylidene)-N-methylhydrazinecarbothioamide
  参考文献：
  名称：

  SYNTHESIS, STRUCTURES AND ANTIMICROBIAL ACTIVITY OF CHLORO- AND FLUORO-SUBSTITUTED THIOCARBOXYHYDRAZONES

  摘要：

  A series of chloro-and fluoro-substituted thiocarboxyhydrazones, 2-(2-chlorobenzylidene)-N-methylhydrazinecarbothioamide (1), 2-(4-fluorobenzylidene)N- methylhydrazinecarbothioamide (2), and 2-(2-chloro-4-fluorobenzylidene)-N-methylhydrazinecarbothioamide (3), were synthesized and characterized by elemental analysis, IR and UV-vis spectra, and single crystal X-ray diffraction. Structures of the three compounds are similar, but with slight modification by chloro-and fluoro-substitute groups. The crystal structures of the compounds are stabilized by hydrogen bonds and pi...pi interactions. The antimicrobial activity of the compounds shows that they are effective against some bacteria.

  DOI：

  10.4067/s0717-97072015000200002