乙基[(5-乙基-1H-1,2,4-三唑-3-基)硫基]乙酸酯 | 449747-35-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 乙基[(5-乙基-1H-1,2,4-三唑-3-基)硫基]乙酸酯
• 英文名称: (5-Ethyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
• 英文别名: Ethyl 2-((5-ethyl-1H-1,2,4-triazol-3-yl)thio)acetate；ethyl 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
• CAS: 449747-35-7
• 化学式: C₈H₁₃N₃O₂S
• mdl: MFCD02366304
• 分子量: 215.276
• InChiKey: BZOZGJQCWOWAFO-UHFFFAOYSA-N

物化性质

• 沸点：
  381.8±44.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  93.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙基[(5-乙基-1H-1,2,4-三唑-3-基)硫基]乙酸酯 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 (5-Ethyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-(4-chloro-phenyl)-eth-(E)-ylidene]-hydrazide
  参考文献：
  名称：

  Synthesis and antimicrobial activity of N-[(α-methyl)benzylidene]-(3-substituted-1,2,4-triazol-5-yl-thio)acetohydrazides

  摘要：

  In this study 18 new hydrazones have been synthesized by reacting ortho- or para-substituted acetophenones with (3-substituted-1,2,4-triazol-5-yl-thio)acetohydrazide in ethanol. The prepared compounds were tested for antimicrobial activity. The prepared compounds exhibited only poor activity against Gram (+) and Gram (-) bacteria with the minimal inhibitory concentration (MIC) > or = 400 micrograms/ml. Moderate activity was observed against Candida species with MIC in the range 100-400 micrograms/ml.

  DOI：

  10.1016/s0014-827x(98)00095-0
• 作为产物：
  描述：

  溴乙酸乙酯 、 5-乙基-1,2-二氢-(9ci)-3H-1,2,4-三唑-3-硫酮 生成 乙基[(5-乙基-1H-1,2,4-三唑-3-基)硫基]乙酸酯
  参考文献：
  名称：

  Synthesis and antimicrobial activity of N-[(α-methyl)benzylidene]-(3-substituted-1,2,4-triazol-5-yl-thio)acetohydrazides

  摘要：

  In this study 18 new hydrazones have been synthesized by reacting ortho- or para-substituted acetophenones with (3-substituted-1,2,4-triazol-5-yl-thio)acetohydrazide in ethanol. The prepared compounds were tested for antimicrobial activity. The prepared compounds exhibited only poor activity against Gram (+) and Gram (-) bacteria with the minimal inhibitory concentration (MIC) > or = 400 micrograms/ml. Moderate activity was observed against Candida species with MIC in the range 100-400 micrograms/ml.

  DOI：

  10.1016/s0014-827x(98)00095-0

文献信息

• Synthesis and antimicrobial activity of N-[(α-methyl)benzylidene]-(3-substituted-1,2,4-triazol-5-yl-thio)acetohydrazides
  作者：Seyhan Ersan、Sultan Nacak、Rukiye Berkem

  DOI：10.1016/s0014-827x(98)00095-0

  日期：1998.12

  In this study 18 new hydrazones have been synthesized by reacting ortho- or para-substituted acetophenones with (3-substituted-1,2,4-triazol-5-yl-thio)acetohydrazide in ethanol. The prepared compounds were tested for antimicrobial activity. The prepared compounds exhibited only poor activity against Gram (+) and Gram (-) bacteria with the minimal inhibitory concentration (MIC) > or = 400 micrograms/ml. Moderate activity was observed against Candida species with MIC in the range 100-400 micrograms/ml.