7H-3-ethyl-6-phenyl-s-triazolo[3,4-b][1,3,4]thiadiazine | 24848-29-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 7H-3-ethyl-6-phenyl-s-triazolo[3,4-b][1,3,4]thiadiazine
• 英文别名: 3-Aethyl-6-phenyl-7H-1.2.4-triazolo<3,4-b><1.3.4>thiadiazin；3-ethyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
• CAS: 24848-29-1
• 化学式: C₁₂H₁₂N₄S
• 分子量: 244.32
• InChiKey: WGAJUFGAPQKOIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone 在 一水合肼 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以82%的产率得到7H-3-ethyl-6-phenyl-s-triazolo[3,4-b][1,3,4]thiadiazine
  参考文献：
  名称：

  Ring transformation of 1,3,4-oxadiazole to s-triazole-fused heterocycles. New synthetic route for thiazolo[2,3-c]-s-triazole and 7H-s-triazolo[3,4-b][1,3,4]thiadiazine

  摘要：

  DOI：

  10.1021/jo00135a014

文献信息

• Song, Ming-Xia; Zhang, Chun-Bo; Deng, Xian-Qing, Letters in drug design and discovery, 2011, vol. 8, # 9, p. 769 - 773
  作者：Song, Ming-Xia、Zhang, Chun-Bo、Deng, Xian-Qing、Sun, Zhi-Gang、Quan, Zhe-Shan

  DOI：——

  日期：——
• α,α-Dibromoacetophenones mediated synthesis of some new 7H-7-alkoxy-3-alkyl/phenyl-6-aryl-s-triazolo[3,4-b][1,3,4]thiadiazines and their antimicrobial evaluation
  作者：Rashmi Pundeer、Vijay Kiran、Richa Prakash、Sushma、Subhash C. Bhatia、Chetan Sharma、Kamal R. Aneja

  DOI：10.1007/s00044-011-9945-1

  日期：2012.12

  A series of new 7H-7-alkoxy-3-alkyl/phenyl-6-aryl-s-triazolo[3,4-b][1,3,4]thiadiazines (3, 4) were synthesized by the reaction of various alpha,alpha-dibromoacetophenones 1 with 3-alkyl/phenyl-4-amino-5-mercapto-s-triazoles (2) in different alcoholic solvents in good yields. All the newly synthesized compounds (3, 4) were screened for their in vitro antibacterial and antifungal activity. Biological activities of these compounds were compared with those of the commercially available antibiotic, ciprofloxacin and antifungal agent, amphotericin-B. The title compounds showed good activity against the Gram-positive bacteria, Staphylococcus aureus and Bacillus subtilis and the yeasts, Saccharomyces cerevisiae and Candida albicans.
• Dhaka,K.S. et al., Indian Journal of Chemistry, 1974, vol. 12, p. 287 - 289
  作者：Dhaka,K.S. et al.

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  作者：George,T. et al.

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  作者：SASAKI, TADASHI、ITO, EIKOH、SHIMIZU, IKUO

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