1-methyl-2-methylsulfonyl-1H-imidazol-5-carbaldehyde thiosemicarbazone | 1307803-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-methyl-2-methylsulfonyl-1H-imidazol-5-carbaldehyde thiosemicarbazone
• 英文别名: [(3-methyl-2-methylsulfonylimidazol-4-yl)methylideneamino]thiourea
• CAS: 1307803-95-7
• 化学式: C₇H₁₁N₅O₂S₂
• 分子量: 261.329
• InChiKey: JTGBVHLBBUWDPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.01
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  102.37
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-methyl-2-methylsulfonyl-1H-imidazol-5-carbaldehyde thiosemicarbazone 在 iron(III) ammonium sulfate dodecahydrate 作用下， 以 水 为溶剂， 反应 4.0h， 以75%的产率得到5-(1-methyl-2-methylsulfonyl-1H-imidazol-5-yl)-1,3,4-thiadiazole-2-amine
  参考文献：
  名称：

  Synthesis of novel 2-(2-methylsulfonyl-1-methyl-1H-imidazol-5-yl)-5-(alkylsulfonyl)-1,3,4-thiadiazoles

  摘要：

  AbstractStarting from 5‐hydroxymethyl‐2‐mercapto‐1‐methyl‐1H‐imidazole (1), a series of 2‐(1‐methyl‐2‐methylsulfonyl‐1H‐imidazol‐5‐yl)‐5‐alkylthio and 5‐alkylsulfonyl‐1,3,4‐thiadiazole derivatives (9a, 9b, 9c, 9d and 10a, 10b, 10c, 10d) were prepared as potential antimicrobial agents. The structure of the obtained compounds was confirmed by NMR, IR, Mass spectroscopy, and elemental analysis. J. Heterocyclic Chem., (2010)

  DOI：

  10.1002/jhet.535
• 作为产物：
  描述：

  (3-Methyl-2-methylsulfonylimidazol-4-yl)methanol 在 盐酸 、 manganese(IV) oxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 1-methyl-2-methylsulfonyl-1H-imidazol-5-carbaldehyde thiosemicarbazone
  参考文献：
  名称：

  Synthesis of novel 2-(2-methylsulfonyl-1-methyl-1H-imidazol-5-yl)-5-(alkylsulfonyl)-1,3,4-thiadiazoles

  摘要：

  AbstractStarting from 5‐hydroxymethyl‐2‐mercapto‐1‐methyl‐1H‐imidazole (1), a series of 2‐(1‐methyl‐2‐methylsulfonyl‐1H‐imidazol‐5‐yl)‐5‐alkylthio and 5‐alkylsulfonyl‐1,3,4‐thiadiazole derivatives (9a, 9b, 9c, 9d and 10a, 10b, 10c, 10d) were prepared as potential antimicrobial agents. The structure of the obtained compounds was confirmed by NMR, IR, Mass spectroscopy, and elemental analysis. J. Heterocyclic Chem., (2010)

  DOI：

  10.1002/jhet.535