methyl N-[(1-methylthio-1-phenylthio)methylideneaminosulfonyl]carbamate | 184427-52-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: methyl N-[(1-methylthio-1-phenylthio)methylideneaminosulfonyl]carbamate
• 英文别名: methyl N-[[methylsulfanyl(phenylsulfanyl)methylidene]amino]sulfonylcarbamate
• CAS: 184427-52-9
• 化学式: C₁₀H₁₂N₂O₄S₃
• 分子量: 320.414
• InChiKey: VMXUNMXLSAYIOZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  144
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl N-[(1-methylthio-1-phenylthio)methylideneaminosulfonyl]carbamate 在 氨 作用下， 以 乙腈 为溶剂， 以66%的产率得到ammonium salt of 2,3-dihydro-5-methylthio-3-oxo-4H-1,2,4,6-thiatriazine 1,1-dioxide
  参考文献：
  名称：

  First Example of a 4-Amino-1,2,4,6-thiatriazine 1,1-Dioxide Derivative

  摘要：

  For the first time, an N-4-amino derivative of 1,2,4,6-thiatriazine 1,1-dioxide (5) was prepared by cyclocondensation reaction of the appropriate sulfamoylcarbamate (3) with hydrazine. Reaction of 3 with ammonia yielded the cyclic 4H-derivative (4). Nucleophilic substitution reactions of 4 and 5 with hydrazine, as well as condensation of 5 with ethyl orthoformate were achieved. The antiprotozoal and anti-HIV properties of the new compounds were evaluated, but none of them showed significant biological activities.

  DOI：

  10.3987/com-96-7548
• 作为产物：
  描述：

  N-氯磺酰基氨基甲酸甲酯 、 S-phenyl-S'-methyldithioimidocarbonate 以 二氯甲烷 为溶剂， 反应 3.0h， 以75%的产率得到methyl N-[(1-methylthio-1-phenylthio)methylideneaminosulfonyl]carbamate
  参考文献：
  名称：

  First Example of a 4-Amino-1,2,4,6-thiatriazine 1,1-Dioxide Derivative

  摘要：

  For the first time, an N-4-amino derivative of 1,2,4,6-thiatriazine 1,1-dioxide (5) was prepared by cyclocondensation reaction of the appropriate sulfamoylcarbamate (3) with hydrazine. Reaction of 3 with ammonia yielded the cyclic 4H-derivative (4). Nucleophilic substitution reactions of 4 and 5 with hydrazine, as well as condensation of 5 with ethyl orthoformate were achieved. The antiprotozoal and anti-HIV properties of the new compounds were evaluated, but none of them showed significant biological activities.

  DOI：

  10.3987/com-96-7548