1-Phenyl-3-[[7-[(phenylcarbamothioylamino)methyl]naphthalen-2-yl]methyl]thiourea | 1013937-45-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Phenyl-3-[[7-[(phenylcarbamothioylamino)methyl]naphthalen-2-yl]methyl]thiourea
• 英文别名: 1-phenyl-3-[[7-[(phenylcarbamothioylamino)methyl]naphthalen-2-yl]methyl]thiourea
• CAS: 1013937-45-5
• 化学式: C₂₆H₂₄N₄S₂
• 分子量: 456.635
• InChiKey: FHOABHYEYFDIHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  112
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Phenyl-3-[[7-[(phenylcarbamothioylamino)methyl]naphthalen-2-yl]methyl]thiourea 、 四丁基醋酸铵 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  Effect of spacer geometry on oxoanion binding by bis- and tetrakis-thiourea hosts

  摘要：

  Hosts with thiourea groups bind anions by formation of multiple hydrogen bonds. This contribution discusses how spacers linking two or four thiourea groups affect the host affinity and selectivity. While most of the bis-thioureas bind H2PO4- preferentially, the extent of selectivity over chloride, acetate, and H2AsO4- is determined by the size of the binding cavity. A tetrakis-thiourea is shown to exhibit a unique H2AsO4- selectivity, and the discrimination of chloride is enhanced by specific solvation in dimethyl sulfoxide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.026
• 作为产物：
  描述：

  以 氘代二甲亚砜 为溶剂， 生成 1-Phenyl-3-[[7-[(phenylcarbamothioylamino)methyl]naphthalen-2-yl]methyl]thiourea 、 四丁基醋酸铵
  参考文献：
  名称：

  Effect of spacer geometry on oxoanion binding by bis- and tetrakis-thiourea hosts

  摘要：

  Hosts with thiourea groups bind anions by formation of multiple hydrogen bonds. This contribution discusses how spacers linking two or four thiourea groups affect the host affinity and selectivity. While most of the bis-thioureas bind H2PO4- preferentially, the extent of selectivity over chloride, acetate, and H2AsO4- is determined by the size of the binding cavity. A tetrakis-thiourea is shown to exhibit a unique H2AsO4- selectivity, and the discrimination of chloride is enhanced by specific solvation in dimethyl sulfoxide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.026

文献信息

• Effect of spacer geometry on oxoanion binding by bis- and tetrakis-thiourea hosts
  作者：Annie N. Leung、Dave A. Degenhardt、Philippe Bühlmann

  DOI：10.1016/j.tet.2008.01.026

  日期：2008.3

  Hosts with thiourea groups bind anions by formation of multiple hydrogen bonds. This contribution discusses how spacers linking two or four thiourea groups affect the host affinity and selectivity. While most of the bis-thioureas bind H2PO4- preferentially, the extent of selectivity over chloride, acetate, and H2AsO4- is determined by the size of the binding cavity. A tetrakis-thiourea is shown to exhibit a unique H2AsO4- selectivity, and the discrimination of chloride is enhanced by specific solvation in dimethyl sulfoxide. (c) 2008 Elsevier Ltd. All rights reserved.