1-(1-ethoxy-ethylidene)-thiosemicarbazide | 25835-31-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(1-ethoxy-ethylidene)-thiosemicarbazide
• 英文别名: N'-Thiocarbamoyl-acetohydrazonsaeure-aethylester；1-(1-Aethoxy-aethyliden)-thiosemicarbazid；ethyl (1E)-N-carbamothioylethanehydrazonate
• CAS: 25835-31-8
• 化学式: C₅H₁₁N₃OS
• 分子量: 161.228
• InChiKey: IBRWSUHNNRVGBP-QPJJXVBHSA-N

物化性质

• 熔点：
  151-152 °C(Solv: ethanol (64-17-5))
• 沸点：
  233.4±23.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-氨基-6-甲氧基喹啉 、 1-(1-ethoxy-ethylidene)-thiosemicarbazide 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Tri-substituted triazoles as potent non-nucleoside inhibitors of the HIV-1 reverse transcriptase

  摘要：

  A new series of 1,2,4-triazoles was synthesized and tested against several NNRTI-resistant HIV-1 isolates. Several of these compounds exhibited potent antiviral activities against efavirenz- and nevirapine-resistant viruses, containing K103N and/or Y181C mutations or Y188L mutation. Triazoles were first synthesized from commercially available substituted phenylthio-semicarbazides, then from isothiocyanates, and later by condensing the desired substituted anilines with thiosemicarbazones. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.048
• 作为产物：
  描述：

  氨基硫脲 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-(1-ethoxy-ethylidene)-thiosemicarbazide
  参考文献：
  名称：

  Kranz; Weidinger, Festschrift C. Wurster S. 119, 131

  摘要：

  DOI：

文献信息

• 558. Preparation and reactions of thiocarbamoyl- and thioureido-amidines
  作者：C. G. Raison

  DOI：10.1039/jr9570002858

  日期：——
• The Reaction of Thiosemicarbazide with Orthoesters
  作者：C. Ainsworth

  DOI：10.1021/ja01590a058

  日期：1956.5
• Kranz; Weidinger, Festschrift C. Wurster <Ludwigshafen 1960> S. 119, 131
  作者：Kranz、Weidinger

  DOI：——

  日期：——
• Tri-substituted triazoles as potent non-nucleoside inhibitors of the HIV-1 reverse transcriptase
  作者：Martha De La Rosa、Hong Woo Kim、Esmir Gunic、Cheryl Jenket、Uyen Boyle、Yung-hyo Koh、Ilia Korboukh、Matthew Allan、Weijian Zhang、Huanming Chen、Wen Xu、Shahul Nilar、Nanhua Yao、Robert Hamatake、Stanley A. Lang、Zhi Hong、Zhijun Zhang、Jean-Luc Girardet

  DOI：10.1016/j.bmcl.2006.06.048

  日期：2006.9

  A new series of 1,2,4-triazoles was synthesized and tested against several NNRTI-resistant HIV-1 isolates. Several of these compounds exhibited potent antiviral activities against efavirenz- and nevirapine-resistant viruses, containing K103N and/or Y181C mutations or Y188L mutation. Triazoles were first synthesized from commercially available substituted phenylthio-semicarbazides, then from isothiocyanates, and later by condensing the desired substituted anilines with thiosemicarbazones. (c) 2006 Elsevier Ltd. All rights reserved.