1-cyclohexyl-3-[(E)-1-thiophen-2-ylethylideneamino]thiourea

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-cyclohexyl-3-[(E)-1-thiophen-2-ylethylideneamino]thiourea
• 化学式: C₁₃H₁₉N₃S₂
• 分子量: 281.446
• InChiKey: DCJHNCHHNUNCPX-XNTDXEJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  96.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-乙酰基噻吩 、 环己基异硫氰酸脂 以 甲醇 为溶剂， 反应 6.0h， 以86%的产率得到1-cyclohexyl-3-[(E)-1-thiophen-2-ylethylideneamino]thiourea
  参考文献：
  名称：

  Novel heterocyclic thiosemicarbazones derivatives as colorimetric and “turn on” fluorescent sensors for fluoride anion sensing employing hydrogen bonding

  摘要：

  Two novel heterocyclic thiosemicarbazone derivatives have been synthesized, and characterized, by means of spectroscopic and single crystal X-ray diffraction methods. Their chromophoric-fluorogenic response towards anions in competing solvent dimethyl sulfoxide (DMSO) was studied. The receptor shows selective recognition towards fluoride anion. The binding affinity of the receptors with fluoride anion was calculated using UV-visible and fluorescence spectroscopic techniques. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.04.103