N-(4-fluorobenzoyl)-N′-(4-nitrophenyl)thiourea

• 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: N-(4-fluorobenzoyl)-N′-(4-nitrophenyl)thiourea
• 英文别名: 4-fluoro-N-[(4-nitrophenyl)carbamothioyl]benzamide
• 化学式: C₁₄H₁₀FN₃O₃S
• 分子量: 319.316
• InChiKey: YHMGWKIBBFVCQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对氟苯甲酸 在 氯化亚砜 、 potassium thioacyanate 作用下， 以 乙腈 为溶剂， 生成 N-(4-fluorobenzoyl)-N′-(4-nitrophenyl)thiourea
  参考文献：
  名称：

  Acylthiourea derivatives as colorimetric sensors for anions: Synthesis, characterization and spectral behaviors

  摘要：

  Several acylthioureas have been synthesized to develop colorimetric sensors for detection of biologically important anions. UV-vis titration experiments indicated that the absorbance values have a good linear relationship with concentration of anions when the anions were added in AR-1, AR-4 and AR-6 sensor molecules. The detection limit to AcO- and F- is 5 x 10(-6) mol/L when the concentration of receptors are 2 x 10(-5) mol/L. Especially, compounds AR-1 and AR-4, decorated with strong electron-withdrawing NO2 substituent, showed augmented anion sensing properties, being capable of naked-eye detecting of F- and AcO- when the water content is lower than 15%. The recognition details of anion sensing were also assessed using H-1 NMR technique and confirmed that the basic anions induced deprotonation of N-H. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2015.09.003

文献信息

• Acylthiourea derivatives as colorimetric sensors for anions: Synthesis, characterization and spectral behaviors
  作者：Shuangshuang Liu、Jing Kang、Xiufang Cao、Xiali Yue

  DOI：10.1016/j.saa.2015.09.003

  日期：2016.1

  Several acylthioureas have been synthesized to develop colorimetric sensors for detection of biologically important anions. UV-vis titration experiments indicated that the absorbance values have a good linear relationship with concentration of anions when the anions were added in AR-1, AR-4 and AR-6 sensor molecules. The detection limit to AcO- and F- is 5 x 10(-6) mol/L when the concentration of receptors are 2 x 10(-5) mol/L. Especially, compounds AR-1 and AR-4, decorated with strong electron-withdrawing NO2 substituent, showed augmented anion sensing properties, being capable of naked-eye detecting of F- and AcO- when the water content is lower than 15%. The recognition details of anion sensing were also assessed using H-1 NMR technique and confirmed that the basic anions induced deprotonation of N-H. (C) 2015 Elsevier B.V. All rights reserved.