(5-Methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester | 14902-03-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (5-Methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
• 英文别名: ethyl [(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate；ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
• CAS: 14902-03-5
• 化学式: C₇H₁₁N₃O₂S
• mdl: MFCD01048980
• 分子量: 201.249
• InChiKey: JWFIQEOIHJACSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 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：

  (5-Methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 N-[1-(2-chlorophenyl)ethylideneamino]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
  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 、 3-巯基-5-甲基-1,2,4-三氮唑 生成 (5-Methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
  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.