N,N'-diphenyl-N-(5-thioxo-5H-[1,2,4]dithiazol-3-yl)-guanidine | 75350-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N,N'-diphenyl-N-(5-thioxo-5H-[1,2,4]dithiazol-3-yl)-guanidine
• 英文别名: 5-<1,2-Diphenyl-guanidino>-3H-1,2,4-dithiazol-3-thion；1,2-diphenyl-1-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
• CAS: 75350-99-1
• 化学式: C₁₅H₁₂N₄S₃
• 分子量: 344.485
• InChiKey: YFFCRAPOYVIPLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-diphenyl-N-(5-thioxo-5H-[1,2,4]dithiazol-3-yl)-guanidine 、 sodium hydroxide 以80%的产率得到
  参考文献：
  名称：

  BUTLER A. R.; HUSSAIN I., J. CHEM. RES. SYNOP., 1980, NO 8, 266-267

  摘要：

  DOI：
• 作为产物：
  描述：

  二硫化碳 、 5-imino-4-phenyl-3-phenylamino-4,5-dihydro-1,2,4-thiadiazoline 以 乙醇 为溶剂， 反应 4.0h， 以75%的产率得到N,N'-diphenyl-N-(5-thioxo-5H-[1,2,4]dithiazol-3-yl)-guanidine
  参考文献：
  名称：

  3-Thio-5-(N-aryl-N′-arylguanyl)-1,2,4-dithiazoles as potential anti-convulsant and analgesic agents

  摘要：

  The synthesis and biological activities of a number of substituted 3-thio-5-(N-aryl-N'-arylguanyl)-1,2,4-dithiazoles are reported. The aromatic substitutents m-CH3 3, p-CH3 4 and p-bromo 11 produced compounds with potent anti-convulsant properties in rats and compared favorably with the standard anti-convulsant drugs phenytoin and phenobarbitone-sodium in a number of test situations. In the analgesic test, most of the compounds exhibited analgesic activity with particular reference to p-CH3 4 substitution being most potent in the series.

  DOI：

  10.1016/0223-5234(93)90010-c

文献信息

• Butler et al., Acta Crystallographica, 1978, vol. <B> 34, p. 2570
  作者：Butler et al.

  DOI：——

  日期：——
• 3-Thio-5-(N-aryl-N′-arylguanyl)-1,2,4-dithiazoles as potential anti-convulsant and analgesic agents
  作者：K Srivastava、SN Pandeya

  DOI：10.1016/0223-5234(93)90010-c

  日期：1993.1

  The synthesis and biological activities of a number of substituted 3-thio-5-(N-aryl-N'-arylguanyl)-1,2,4-dithiazoles are reported. The aromatic substitutents m-CH3 3, p-CH3 4 and p-bromo 11 produced compounds with potent anti-convulsant properties in rats and compared favorably with the standard anti-convulsant drugs phenytoin and phenobarbitone-sodium in a number of test situations. In the analgesic test, most of the compounds exhibited analgesic activity with particular reference to p-CH3 4 substitution being most potent in the series.
• BUTLER A. R.; HUSSAIN I., J. CHEM. RES. SYNOP., 1980, NO 8, 266-267
  作者：BUTLER A. R.、 HUSSAIN I.

  DOI：——

  日期：——