5-[1-(3-氯苯氧基)乙基]-4-乙基-4H-1,2,4-噻唑-3-硫醇 | 478686-86-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-[1-(3-氯苯氧基)乙基]-4-乙基-4H-1,2,4-噻唑-3-硫醇
• 中文别名: 5-[1-(3-氯苯氧基)乙基]-4-乙基-4H-1,2,4-三唑-3-硫醇
• 英文名称: 5-[1-(3-Chloro-phenoxy)-ethyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol
• 英文别名: 5-[1-(3-chlorophenoxy)ethyl]-4-ethyl-4H-1,2,4-triazole-3-thiol；3-[1-(3-chlorophenoxy)ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
• CAS: 478686-86-1
• 化学式: C₁₂H₁₄ClN₃OS
• mdl: MFCD03943514
• 分子量: 283.782
• InChiKey: JPGJBFIWJVGLRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  69
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(5-chloro-2,3-dihydro-3-benzofuryl)acetamide 、 5-[1-(3-氯苯氧基)乙基]-4-乙基-4H-1,2,4-噻唑-3-硫醇 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 10.0h， 以72%的产率得到N-(5-Chloro-2,3-dihydro-benzofuran-3-yl)-2-{5-[1-(3-chloro-phenoxy)-ethyl]-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
  参考文献：
  名称：

  Synthesis of some triazolyl-benzofuranamine derivatives

  摘要：

  The synthesis of some triazoly-benzofuranamine derivatives starting from 2-chloro-N-(5-substituted-2,3-dihydro-3-benzofuryl)acetamides and 3-(aryloxyalkyl)-4-ethyl/phenyl-5-mercapto-1,2,4-triazoles is described. The chemical structures of the compounds were elucidated. The prepared compounds were tested for herbicidal activity. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01251-x
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 反应 3.0h， 生成 5-[1-(3-氯苯氧基)乙基]-4-乙基-4H-1,2,4-噻唑-3-硫醇
  参考文献：
  名称：

  Synthesis of some triazolyl-benzofuranamine derivatives

  摘要：

  The synthesis of some triazoly-benzofuranamine derivatives starting from 2-chloro-N-(5-substituted-2,3-dihydro-3-benzofuryl)acetamides and 3-(aryloxyalkyl)-4-ethyl/phenyl-5-mercapto-1,2,4-triazoles is described. The chemical structures of the compounds were elucidated. The prepared compounds were tested for herbicidal activity. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01251-x

文献信息

• Synthesis of some triazolyl-benzofuranamine derivatives
  作者：G. Turan-Zitouni、Z.A. Kaplancıklı、A. Özdemir

  DOI：10.1016/s0014-827x(02)01251-x

  日期：2002.7

  The synthesis of some triazoly-benzofuranamine derivatives starting from 2-chloro-N-(5-substituted-2,3-dihydro-3-benzofuryl)acetamides and 3-(aryloxyalkyl)-4-ethyl/phenyl-5-mercapto-1,2,4-triazoles is described. The chemical structures of the compounds were elucidated. The prepared compounds were tested for herbicidal activity. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.