N-hydroxythiazole-4-carbothioamide | 1568950-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-hydroxythiazole-4-carbothioamide
• 英文别名: N-hydroxy-1,3-thiazole-4-carbothioamide
• CAS: 1568950-05-9
• 化学式: C₄H₄N₂OS₂
• 分子量: 160.221
• InChiKey: FMFSODXPCWQHKC-UHFFFAOYSA-N

物化性质

• 熔点：
  102-104 °C
• 沸点：
  334.2±34.0 °C(predicted)
• 密度：
  1.580±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  五氟苯甲酰氯 、 N-hydroxythiazole-4-carbothioamide 、 1-溴-3-甲基-2-丁烯 在 四丁基碘化铵 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 0.5h， 以67%的产率得到3-methylbut-2-en-1-yl N-((perfluorobenzoyl)oxy)thiazole-4-carbimidothioate
  参考文献：
  名称：

  Synthesis of Thiohydroxamic Acids and Thiohydroximic Acid Derivatives

  摘要：

  An improved and expanded preparation of thiohydroxamic acids is reported along with a one-pot conversion of these compounds to novel thiohydroximic acid derivatives. A variety of aryl, heteroaryl, and alkyl substituents are well tolerated to provide a rapid approach to alkene-functionalized thiohydroximic acids that serve as potentially useful building blocks for organic synthesis.

  DOI：

  10.1021/jo500080x
• 作为产物：
  描述：

  N-hydroxythiazole-4-carbimidoyl chloride 在 sodium sulfide 、 三乙胺 作用下， 以 乙醚 、 水 为溶剂， 反应 1.0h， 以66%的产率得到N-hydroxythiazole-4-carbothioamide
  参考文献：
  名称：

  Synthesis of Thiohydroxamic Acids and Thiohydroximic Acid Derivatives

  摘要：

  An improved and expanded preparation of thiohydroxamic acids is reported along with a one-pot conversion of these compounds to novel thiohydroximic acid derivatives. A variety of aryl, heteroaryl, and alkyl substituents are well tolerated to provide a rapid approach to alkene-functionalized thiohydroximic acids that serve as potentially useful building blocks for organic synthesis.

  DOI：

  10.1021/jo500080x