3-methylsulfanylmethyl-6-thiophen-2-yl-[1,2,4,5]tetrazine | 58884-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四嗪
• 英文名称: 3-methylsulfanylmethyl-6-thiophen-2-yl-[1,2,4,5]tetrazine
• 英文别名: 3-(Methylthio)methyl-6-(2-thienyl)-s-tetrazin；3-(Methylsulfanylmethyl)-6-thiophen-2-yl-1,2,4,5-tetrazine
• CAS: 58884-81-4
• 化学式: C₈H₈N₄S₂
• 分子量: 224.31
• InChiKey: WAGQOWXJUSWOIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 2-thiophenecarboximidate hydrochloride 、 2-methylsulfanyl-acetamidine; acetate 生成 3-methylsulfanylmethyl-6-thiophen-2-yl-[1,2,4,5]tetrazine
  参考文献：
  名称：

  Novel synthesis of unsymmetrically substituteds-tetrazines

  摘要：

  AbstractThe synthesis of unsymmetrical 3‐aryl and 3‐heterocyclic s‐tetrazines has been examined and the scope of the reaction and the product distribution is discussed. The products included unsymmetrical and symmetrical s‐tetrazines, hydrazines, diimides, tetrazoles and triazoles with the composition of the mixtures with respect to structural type varying with the individual reactions. Some transformations with the system are discussed.

  DOI：

  10.1002/jhet.5570120612

文献信息

• Novel synthesis of unsymmetrically substituted<i>s</i>-tetrazines
  作者：S. A. Lang、B. D. Johnson、E. Cohen

  DOI：10.1002/jhet.5570120612

  日期：1975.12

  AbstractThe synthesis of unsymmetrical 3‐aryl and 3‐heterocyclic s‐tetrazines has been examined and the scope of the reaction and the product distribution is discussed. The products included unsymmetrical and symmetrical s‐tetrazines, hydrazines, diimides, tetrazoles and triazoles with the composition of the mixtures with respect to structural type varying with the individual reactions. Some transformations with the system are discussed.