1-(4-chloro-phenyl)-3-[1,2,4]triazol-4-yl-thiourea | 5102-35-2

• 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: 1-(4-chloro-phenyl)-3-[1,2,4]triazol-4-yl-thiourea
• 英文别名: 1-<4-Chlor-phenyl>-3-<1,3,4>triazol-4-yl-thioharnstoff；N-<4-Chlor-phenyl>-N'-<1,3,4>triazolyl-thioharnstoff；N-(4-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)thiourea；1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
• CAS: 5102-35-2
• 化学式: C₉H₈ClN₅S
• mdl: MFCD02187194
• 分子量: 253.715
• InChiKey: OWGJACHELZXOHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-chloro-phenyl)-3-[1,2,4]triazol-4-yl-thiourea 、 碘甲烷 以 甲醇 为溶剂， 反应 12.0h， 以79%的产率得到methyl N-(1,2,4-triazol-4-yl)-N'-(4-chloro-phenyl)carbamimidothioate
  参考文献：
  名称：

  Synthesis and biological activities of N-(1,2,4-triazole-4-yl)-N′-(fluorine-containing-phenyl)carbamimidothioates

  摘要：

  A series of N-(1,2,4-triazole-4-yl)-N'-(fluorine-containing-phenyl)carbamimidothioates 5a-i were synthesized by reacting 4-amine-1,2,4-trizaole with corresponding aryl isothiocyanates in ethanol at room temperature and, in a subsequent step, with methyl iodide. The antifungal activities of the title compounds against the fungi Rhizoctonia solan and Pyricularia orizae were screened. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00010-6
• 作为产物：
  描述：

  4-氨基-1,2,4-三氮唑 、 4-氯异硫氰酸苯酯 以 乙醇 为溶剂， 反应 8.0h， 生成 1-(4-chloro-phenyl)-3-[1,2,4]triazol-4-yl-thiourea
  参考文献：
  名称：

  Synthesis and biological activities of N-(1,2,4-triazole-4-yl)-N′-(fluorine-containing-phenyl)carbamimidothioates

  摘要：

  A series of N-(1,2,4-triazole-4-yl)-N'-(fluorine-containing-phenyl)carbamimidothioates 5a-i were synthesized by reacting 4-amine-1,2,4-trizaole with corresponding aryl isothiocyanates in ethanol at room temperature and, in a subsequent step, with methyl iodide. The antifungal activities of the title compounds against the fungi Rhizoctonia solan and Pyricularia orizae were screened. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00010-6

文献信息

• Synthesis and activity of some 1,2,4-triazolylthiazolidones
  作者：Miha Tisler、A. Andolsek、Branko Stanovnik、M. Likar、P. Schauer

  DOI：10.1021/jm00283a014

  日期：1971.1
• Solanki,M.S.; Trivedi,J.P., Journal of the Indian Chemical Society, 1965, vol. 42, p. 817 - 818
  作者：Solanki,M.S.、Trivedi,J.P.

  DOI：——

  日期：——
• Synthesis and biological activities of N-(1,2,4-triazole-4-yl)-N′-(fluorine-containing-phenyl)carbamimidothioates
  作者：Dawei Cui、Zhibin Li、Gonghua Song、Xuhong Qian

  DOI：10.1016/s0022-1139(02)00010-6

  日期：2002.5

  A series of N-(1,2,4-triazole-4-yl)-N'-(fluorine-containing-phenyl)carbamimidothioates 5a-i were synthesized by reacting 4-amine-1,2,4-trizaole with corresponding aryl isothiocyanates in ethanol at room temperature and, in a subsequent step, with methyl iodide. The antifungal activities of the title compounds against the fungi Rhizoctonia solan and Pyricularia orizae were screened. (C) 2002 Elsevier Science B.V. All rights reserved.