2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl acetate
• 化学式: C₁₂H₁₂ClN₃O₂S
• 分子量: 297.765
• InChiKey: BGIFTOCVMHUHPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异硫氰酸 p-氯苯甲酰脂 在 吡啶 、 对甲苯磺酸 作用下， 以 甲苯 、 苯 为溶剂， 反应 3.0h， 生成 2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl acetate
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of esters derived from 5-aryl-1,2-dihydro-2-(2-hydroxyethyl)-3H-1,2,4-triazole-3-thiones

  摘要：

  Some aliphatic and aromatic esters 2a-l were prepared starting from 5-aryl-1,2,4-triazoline-3-thiones bearing a 2-hydroxyethyl chain in position 2. The title compounds were evaluated for antipyretic and anti-inflammatory activities. Nearly all derivatives and in particular 2f, 2h, 2k exhibited antiphlogistic properties but were lacking in antipyretic activity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00074-3

文献信息

• Synthesis and anti-inflammatory activity of esters derived from 5-aryl-1,2-dihydro-2-(2-hydroxyethyl)-3H-1,2,4-triazole-3-thiones
  作者：Silvia Schenone、Olga Bruno、Angelo Ranise、Francesco Bondavalli、Walter Filippelli、Francesca Rossi、Giuseppe Falcone

  DOI：10.1016/s0014-827x(98)00074-3

  日期：1998.8

  Some aliphatic and aromatic esters 2a-l were prepared starting from 5-aryl-1,2,4-triazoline-3-thiones bearing a 2-hydroxyethyl chain in position 2. The title compounds were evaluated for antipyretic and anti-inflammatory activities. Nearly all derivatives and in particular 2f, 2h, 2k exhibited antiphlogistic properties but were lacking in antipyretic activity. (C) 1998 Elsevier Science S.A. All rights reserved.