1-(2-Cyanoethyl)-3-(2,6-dichlorophenyl)thiourea | 75257-74-8

• 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: 1-(2-Cyanoethyl)-3-(2,6-dichlorophenyl)thiourea
• CAS: 75257-74-8
• 化学式: C₁₀H₉Cl₂N₃S
• 分子量: 274.174
• InChiKey: LSUXAEYTMYCATL-UHFFFAOYSA-N

物化性质

• 熔点：
  144-146 °C(Solv: ethanol (64-17-5))
• 沸点：
  406.6±55.0 °C(Predicted)
• 密度：
  1.446±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-Cyanoethyl)-3-(2,6-dichlorophenyl)thiourea 在 盐酸 作用下， 生成
  参考文献：
  名称：

  Antihypertensive (2-aminoethyl)thiourea derivatives. 1

  摘要：

  Structure-activity studies were carried out on a series of antihypertensive 1-(2-aminoethyl)-3-(substituted phenyl)thioureas. From this class of compounds, the 2,6-dichlorophenyl analogue 2 was found to have potent oral antihypertensive activity in two hypertensive rat models and the renal hypertensive dog. In addition to its effect on blood pressure, 2 displayed sedative effects which had a marked species specificity.

  DOI：

  10.1021/jm00186a019
• 作为产物：
  描述：

  3-氨基丙腈 、 2,6-二氯异硫氰酸苯酯 以82%的产率得到1-(2-Cyanoethyl)-3-(2,6-dichlorophenyl)thiourea
  参考文献：
  名称：

  Antihypertensive (2-aminoethyl)thiourea derivatives. 1

  摘要：

  Structure-activity studies were carried out on a series of antihypertensive 1-(2-aminoethyl)-3-(substituted phenyl)thioureas. From this class of compounds, the 2,6-dichlorophenyl analogue 2 was found to have potent oral antihypertensive activity in two hypertensive rat models and the renal hypertensive dog. In addition to its effect on blood pressure, 2 displayed sedative effects which had a marked species specificity.

  DOI：

  10.1021/jm00186a019

文献信息

• TILLEY J. W.; LEVITAN P.; KIERSTEAD R. W., J. MED. CHEM., 1980, 23, NO 12, 1387-1392
  作者：TILLEY J. W.、 LEVITAN P.、 KIERSTEAD R. W.

  DOI：——

  日期：——
• Antihypertensive (2-aminoethyl)thiourea derivatives. 1
  作者：Jefferson W. Tilley、Paul Levitan、Richard W. Kierstead、Michael Cohen

  DOI：10.1021/jm00186a019

  日期：1980.12

  Structure-activity studies were carried out on a series of antihypertensive 1-(2-aminoethyl)-3-(substituted phenyl)thioureas. From this class of compounds, the 2,6-dichlorophenyl analogue 2 was found to have potent oral antihypertensive activity in two hypertensive rat models and the renal hypertensive dog. In addition to its effect on blood pressure, 2 displayed sedative effects which had a marked species specificity.