1-methyl-1H-imidazole-2-sulfonic acid | 137048-30-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 1-methyl-1H-imidazole-2-sulfonic acid
• 英文别名: 1-methyl-2-imidazolesulfonic acid；1-Methylimidazole-2-sulfonic acid
• CAS: 137048-30-7
• 化学式: C₄H₆N₂O₃S
• mdl: MFCD09743350
• 分子量: 162.169
• InChiKey: HXVPOEBBDBQCNP-UHFFFAOYSA-N

物化性质

• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲巯咪唑 在 二氧化氯 作用下， 以 水 为溶剂， 反应 0.5h， 以96%的产率得到1-methyl-1H-imidazole-2-sulfonic acid
  参考文献：
  名称：

  Oxidation of 1-methyl-1H-imidazole-2-thiol with chlorine dioxide

  摘要：

  Oxidation of 1-methyl-1H-imidazole-2-thiol with chlorine dioxide was performed for the first time, and the results were shown to depend on the oxidation conditions. Optimal conditions were found for the preparation of 1-methylimidazole-2-sulfonic acid, 2,2'-disulfanediylbis(1-methylimidazole) hydrochlorite, and 1-methyl-3-sulfo-3H-imidazolium chloride. A new salt, 4-methylanilinium 1-methyl-1H-imidazole-2-sulfonate, was isolated. DOI: 10.1134/S1070428013010193

  DOI：

  10.1134/s1070428013010193

文献信息

• Oxidation of 1-methyl-1H-imidazole-2-thiol with chlorine dioxide
  作者：O. M. Lezina、S. A. Rubtsova、D. V. Belykh、P. A. Slepukhin、A. V. Kutchin

  DOI：10.1134/s1070428013010193

  日期：2013.1

  Oxidation of 1-methyl-1H-imidazole-2-thiol with chlorine dioxide was performed for the first time, and the results were shown to depend on the oxidation conditions. Optimal conditions were found for the preparation of 1-methylimidazole-2-sulfonic acid, 2,2'-disulfanediylbis(1-methylimidazole) hydrochlorite, and 1-methyl-3-sulfo-3H-imidazolium chloride. A new salt, 4-methylanilinium 1-methyl-1H-imidazole-2-sulfonate, was isolated. DOI: 10.1134/S1070428013010193