N-[(4-nitroanilino)carbamothioyl]benzamide | 96716-43-7

• 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-nitroanilino)carbamothioyl]benzamide
• CAS: 96716-43-7
• 化学式: C₁₄H₁₂N₄O₃S
• 分子量: 316.34
• InChiKey: DZAGIKUKAMPLQY-UHFFFAOYSA-N

物化性质

• 熔点：
  195-196 °C
• 密度：
  1.442±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  131
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲酰氯 在 PEG-400 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-[(4-nitroanilino)carbamothioyl]benzamide
  参考文献：
  名称：

  Colorimetric chemosensors designed to provide high sensitivity for Hg2+ in aqueous solutions

  摘要：

  The specific colorimetric detection of Hg2+ in the context of interference from coexisting metal ions in aqueous solutions is a challenge. Therefore, a series of easy-to-make Hg2+ calorimetric chemosensors S1 similar to S3, bearing thiourea moiety as binding site and nitrophenyl moiety as signal group, were designed and synthesized. Among these sensors, S3 showed excellent colorimetric specific selectivity and high sensitivity for Hg2+ in DMSO and DMSO/H2O binary solutions. When Hg2+ was added to the solution of S3, a dramatic color change from brown to colorless was observed, while the cations Ca2+, Mg2+, Cd2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Pb2+, Ag+ and Cr3+ did not interfere with the recognition process for Hg2+. The detection limits were 5.0 x 10(-6) and 1.0 x 10(-7) M of Hg2+ using the visual color changes and UV-vis changes respectively. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.06.023