5-methyl-[1,3,4]thiadiazole-2-yl-dithioperoxycarbamic acid | 200882-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-[1,3,4]thiadiazole-2-yl-dithioperoxycarbamic acid
• 英文别名: hydroxy N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamodithioate
• CAS: 200882-46-8
• 化学式: C₄H₅N₃OS₃
• 分子量: 207.301
• InChiKey: WKSZAONRGUQJRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.04
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  六(正丙基)磷三胺 、 5-methyl-[1,3,4]thiadiazole-2-yl-dithioperoxycarbamic acid 以 苯 为溶剂， 反应 2.0h， 以24%的产率得到1-(Dipropylamino)-6-methyl-1-oxo-[1,3,4]thiadiazolo[3,2-c][1,3,5,2]thiadiazaphosphinine-3-thione
  参考文献：
  名称：

  SYNTHESIS OF DERIVATIVES OF [1,3,4]THIADIAZOLO[3,2-C]-1,2,3-TRIHYDRO-[1,3,5,2]THIADIAZAPHOSPHORINS

  摘要：

  The first dicyclic fused thiadiazaphosphorin derivatives, namely, [1,3,4]thiadiazolo[3,2,c]-1,2,3-trihydro-[1,3,5,2]thiadiazaphosphorins (3 and 4), were synthesized by intermolecular cyclocondensation of [1,3,4]thiadiazole-2-yl-dithiocarbamic acid (1) or -dithioperoxycarbamic acid (2) with tri(dialkylamino)phosphine. 5-methyl[1,3,4]thiadiazolo[3,2-c]-2-dialkylamino-6-thiono-1,2,3-trihydro-[1,3,5,2] thiadiazaphosphorin (3)was- easily oxided into the 5-methyl [1,3,4]thiadiazolo[3,2-c]2-dialkylamino-6-thiono-2-oxo-1,2,3-trihydro-[1,3,5,2]thiadiazaphosphorin (4)nd 5-methyl[1,3,4]thiadiazolo[3,2-c]-2-dialkylamino-6-thiono-1,2-dioxo-1,2,3-trihydro-[1,3,5,2]thiadiazaphosphorin 85r bar>).

  DOI：

  10.1080/10426509708043518
• 作为产物：
  描述：

  5-Methyl-1,3,4-thiadiazol-2-yldithiocarbaminsaeure 在 氧气 作用下， 反应 24.0h， 以77.6%的产率得到5-methyl-[1,3,4]thiadiazole-2-yl-dithioperoxycarbamic acid
  参考文献：
  名称：

  SYNTHESIS OF DERIVATIVES OF [1,3,4]THIADIAZOLO[3,2-C]-1,2,3-TRIHYDRO-[1,3,5,2]THIADIAZAPHOSPHORINS

  摘要：

  The first dicyclic fused thiadiazaphosphorin derivatives, namely, [1,3,4]thiadiazolo[3,2,c]-1,2,3-trihydro-[1,3,5,2]thiadiazaphosphorins (3 and 4), were synthesized by intermolecular cyclocondensation of [1,3,4]thiadiazole-2-yl-dithiocarbamic acid (1) or -dithioperoxycarbamic acid (2) with tri(dialkylamino)phosphine. 5-methyl[1,3,4]thiadiazolo[3,2-c]-2-dialkylamino-6-thiono-1,2,3-trihydro-[1,3,5,2] thiadiazaphosphorin (3)was- easily oxided into the 5-methyl [1,3,4]thiadiazolo[3,2-c]2-dialkylamino-6-thiono-2-oxo-1,2,3-trihydro-[1,3,5,2]thiadiazaphosphorin (4)nd 5-methyl[1,3,4]thiadiazolo[3,2-c]-2-dialkylamino-6-thiono-1,2-dioxo-1,2,3-trihydro-[1,3,5,2]thiadiazaphosphorin 85r bar>).

  DOI：

  10.1080/10426509708043518