4-(2-Cyanoethylthio)pyridine-2-carbonitrile | 256657-57-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(2-Cyanoethylthio)pyridine-2-carbonitrile
• 英文别名: 4-(2-cyanoethylsulfanyl)pyridine-2-carbonitrile
• CAS: 256657-57-5
• 化学式: C₉H₇N₃S
• 分子量: 189.241
• InChiKey: QCDFDUASPLFSSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  85.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-Cyanoethylthio)pyridine-2-carbonitrile 在 吡啶 、 硫化氢 、 三乙胺 作用下， 以92%的产率得到4-(2-Cyano-ethylsulfanyl)-pyridine-2-carbothioic acid amide
  参考文献：
  名称：

  New pyridine derivatives as potential antimicrobial agents

  摘要：

  A set of pyridine derivatives bearing a substituted alkylthio chain or a piperidyl ring in position 2 or 4 were synthesized, and their antimycobacterial and antifugal activities were evaluated. Chemical structures were confirmed by IR and NMR data, and by elemental analysis. Minimum inhibitory concentrations (MIC) were used for the evaluation of microbiological activity in vitro. The compounds were moderately active against both Mycobacterium tuberculosis and nontuberculous mycobacteria. The most active compound was 2-cyanomethylthiopyridine-4-carbonitrile (7) with MTC against Mycobacterium kansasii in the range of 8-4 mu mol/l. The antifungal activities of the compounds were relatively low. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00078-6
• 作为产物：
  描述：

  4-氯-2-氰基吡啶 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.75h， 生成 4-(2-Cyanoethylthio)pyridine-2-carbonitrile
  参考文献：
  名称：

  New pyridine derivatives as potential antimicrobial agents

  摘要：

  A set of pyridine derivatives bearing a substituted alkylthio chain or a piperidyl ring in position 2 or 4 were synthesized, and their antimycobacterial and antifugal activities were evaluated. Chemical structures were confirmed by IR and NMR data, and by elemental analysis. Minimum inhibitory concentrations (MIC) were used for the evaluation of microbiological activity in vitro. The compounds were moderately active against both Mycobacterium tuberculosis and nontuberculous mycobacteria. The most active compound was 2-cyanomethylthiopyridine-4-carbonitrile (7) with MTC against Mycobacterium kansasii in the range of 8-4 mu mol/l. The antifungal activities of the compounds were relatively low. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00078-6