2-乙酰基硫代异丁酸 | 135937-96-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-乙酰基硫代异丁酸
• 英文名称: 2,2-dimethyl-3-oxobutanethioic S-acid
• CAS: 135937-96-1
• 化学式: C₆H₁₀O₂S
• 分子量: 146.21
• InChiKey: KYXIFPICNYSQEK-UHFFFAOYSA-N

物化性质

• 熔点：
  93-94.5°C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.1
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• JPH09295963A
  申请人：——

  公开号：JPH09295963A

  公开（公告）日：1997-11-18
• Method For the Production of a Thioacetic Acid and Salts Thereof
  申请人：Taeschler Christoph

  公开号：US20080161597A1

  公开（公告）日：2008-07-03

  The invention relates to a method for the production of an thioacetic acid and salts thereof of formulae (I) and (II), wherein M n+ represents ammonium or an alkali metal cation, alkaline earth metal cation, aluminum cation or titanium cation, by reacting ketene with hydrogen sulphide in the presence of a nitrogenous base or reacting ketene with an aqueous alkali metal hydrogen sulphide solution. The thioacetic acid thus formed can be, optionally, subsequently transformed into the corresponding salt by reacting it with ammonia or an alkali metal base, alkaline earth metal base, aluminum base or titanium base. The transformation of thioacetic acid and the formation of salt is carried out as a one-pot method.