N-(2-ethoxyphenyl)-N'-(4-ethoxybenzoyl)thiourea | 875054-91-4

• 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-(2-ethoxyphenyl)-N'-(4-ethoxybenzoyl)thiourea
• 英文别名: 4-ethoxy-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
• CAS: 875054-91-4
• 化学式: C₁₈H₂₀N₂O₃S
• 分子量: 344.434
• InChiKey: TZDHFLDNAQEKHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-ethoxybenzoyl isothiocyanate 、 氨基苯乙醚 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 N-(2-ethoxyphenyl)-N'-(4-ethoxybenzoyl)thiourea
  参考文献：
  名称：

  Studies on the Crystal Structure and Properties of N-(2-ethoxyphenyl)-N′-(4-ethoxybenzoyl)-thiourea

  摘要：

  The N-(2-ethoxyphenyl)-N'-(4-ethoxybenzoyl)-thiourea has been synthesized under phase transfer catalysis at room temperature. The compound was characterized via IR, 1H NMR, 13C NMR, elemental analysis, and the structure of the compound was determined by X-ray diffraction analysis. Its crystal belongs to nonoclinic space group, with a = 2.0236(5) nm, b = 1.4543(4) nm, c = 1.4067(3) nm and = 90.00, = 119.21(1), = 90.00 and Z = 8. The compound exhibits selective recognition for H2 PO4-, AcO-, and F- in Me2SO. In addition, the compound is also a considerable plant-growth regulator.

  DOI：

  10.1080/10426500701693495