5-[(3-nitrophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione | 306993-02-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-[(3-nitrophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
• CAS: 306993-02-2
• 化学式: C₉H₇N₃O₃S
• 分子量: 237.239
• InChiKey: YIBZILKWWUSGNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(3-nitrophenyl)acetic hydrazide 在 二硫化碳 、 potassium hydroxide 、 吡啶 、 对甲苯磺酰氯 作用下， 以 乙醚 、 乙醇 、 四氢呋喃 为溶剂， 反应 36.0h， 生成 5-[(3-nitrophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
  参考文献：
  名称：

  Identification and development of 2,5-disubstituted oxadiazole as potential candidate for treatment of XDR and MDR tuberculosis

  摘要：

  Tuberculosis, the infection on the verge of eradication once, is now a great threat to mankind. Emergence of MDR and XDR-TB synergised with HIV and other immune-compressive diseases have increased the life threatening capacities of the disease. A small molecule has been identified here, which showed potent anti-tubercular activity. The identified hit compound has also been proved active against nearly 25 clinical isolates comparable with isoniazid. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.10.054

文献信息

• Identification and development of 2,5-disubstituted oxadiazole as potential candidate for treatment of XDR and MDR tuberculosis
  作者：Ravi L. Bakal、Surendra G. Gattani

  DOI：10.1016/j.ejmech.2011.10.054

  日期：2012.1

  Tuberculosis, the infection on the verge of eradication once, is now a great threat to mankind. Emergence of MDR and XDR-TB synergised with HIV and other immune-compressive diseases have increased the life threatening capacities of the disease. A small molecule has been identified here, which showed potent anti-tubercular activity. The identified hit compound has also been proved active against nearly 25 clinical isolates comparable with isoniazid. (C) 2011 Elsevier Masson SAS. All rights reserved.