4-Aminobenzenethiol;4-[(4-aminophenyl)disulfanyl]aniline | 477741-48-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 4-Aminobenzenethiol;4-[(4-aminophenyl)disulfanyl]aniline
• 英文别名: 4-aminobenzenethiol;4-[(4-aminophenyl)disulfanyl]aniline
• CAS: 477741-48-3
• 化学式: C₆H₇NS*C₁₂H₁₂N₂S₂
• 分子量: 373.567
• InChiKey: LNMXIMZHFJJGKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氨基苯硫酚 在 氧气 作用下， 生成 4-Aminobenzenethiol;4-[(4-aminophenyl)disulfanyl]aniline
  参考文献：
  名称：

  A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol

  摘要：

  The centrosymmetric crystal structure of the title complex, C12H12N2S2.C6H7NS, is built up of dimers of the constituent molecules and stabilized by a herring-bone geometry between the phenyl rings. The structure reveals an N-H...N-H...N-H...S co-operative hydrogen-bonded chain, and C-H...S and N-H...pi hydrogen bonds. The S-H group forms an uncommon S-H...pi interaction.

  DOI：

  10.1107/s0108270102012994

文献信息

• A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol
  作者：Venu R. Vangala、Gautam R. Desiraju、Ram K. R. Jetti、Dieter Bläser、Roland Boese

  DOI：10.1107/s0108270102012994

  日期：2002.10.15

  The centrosymmetric crystal structure of the title complex, C12H12N2S2.C6H7NS, is built up of dimers of the constituent molecules and stabilized by a herring-bone geometry between the phenyl rings. The structure reveals an N-H...N-H...N-H...S co-operative hydrogen-bonded chain, and C-H...S and N-H...pi hydrogen bonds. The S-H group forms an uncommon S-H...pi interaction.