1-[Amino-(3,4-dichloroanilino)methylidene]-3-butylthiourea | 135660-15-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[Amino-(3,4-dichloroanilino)methylidene]-3-butylthiourea
• 英文别名: 1-[amino-(3,4-dichloroanilino)methylidene]-3-butylthiourea
• CAS: 135660-15-0
• 化学式: C₁₂H₁₆Cl₂N₄S
• 分子量: 319.258
• InChiKey: XIMYQRFXIWQNMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.5
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-[Amino-(3,4-dichloroanilino)methylidene]-3-butylthiourea 、 溴代十二烷 以 异丙醇 为溶剂， 生成 dodecyl (Z)-N-butyl-N'-(N-(3,4-dichlorophenyl)carbamimidoyl)carbamimidothioate hydrobromide
  参考文献：
  名称：

  Carbamimidates, carbamimidothioates and related compounds. The effect of lipophilicity on the antibacterial activity

  摘要：

  A series of carbamimidates and carbamimidothioates structurally related to chlorhexidine were prepared and tested for their antibacterial activity. The most effective compounds showed activities very similar to chlorhexidine, although, lacking in the width of the antibacterial spectrum.

  DOI：

  10.1016/0223-5234(91)90106-w
• 作为产物：
  描述：

  N-(3,4-二氯苯基)胍 、 丁基异硫氰酸酯 以 乙腈 为溶剂， 生成 1-[Amino-(3,4-dichloroanilino)methylidene]-3-butylthiourea
  参考文献：
  名称：

  Carbamimidates, carbamimidothioates and related compounds. The effect of lipophilicity on the antibacterial activity

  摘要：

  A series of carbamimidates and carbamimidothioates structurally related to chlorhexidine were prepared and tested for their antibacterial activity. The most effective compounds showed activities very similar to chlorhexidine, although, lacking in the width of the antibacterial spectrum.

  DOI：

  10.1016/0223-5234(91)90106-w

文献信息

• Carbamimidates, carbamimidothioates and related compounds. The effect of lipophilicity on the antibacterial activity
  作者：TE Gunda、AMP Koskinen

  DOI：10.1016/0223-5234(91)90106-w

  日期：1991.6

  A series of carbamimidates and carbamimidothioates structurally related to chlorhexidine were prepared and tested for their antibacterial activity. The most effective compounds showed activities very similar to chlorhexidine, although, lacking in the width of the antibacterial spectrum.