Benzamide;benzylsulfinylmethylbenzene | 1240737-23-8

• 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: Benzamide;benzylsulfinylmethylbenzene
• CAS: 1240737-23-8
• 化学式: C₇H₇NO*C₁₄H₁₄OS
• 分子量: 351.469
• InChiKey: KDNOQFWLWAMQAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二苄基亚砜 、 苯甲酰胺 生成 Benzamide;benzylsulfinylmethylbenzene
  参考文献：
  名称：

  Sulfoxides: Potent Co-Crystal Formers

  摘要：

  The design of co-crystals requires knowledge of robust supramolecular synthons. The still-oxide is a potent hydrogen bond acceptor and has been used as a co-crystal former with a rankle of NH functional groups, via N-H center dot center dot center dot O=S hydrogen bonds. The NH functional group retains favorable hydrogen bond motifs from its own structure in all cases where this is possible, with the sulfoxide interacting in a discrete, capping fashion in four cases and in a bifurcated, bridging fashion in the three other cases presented here.

  DOI：

  10.1021/cg1010192