5-amino-2-n-octylthio-1,3,4-thiadiazole | 40177-31-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-amino-2-n-octylthio-1,3,4-thiadiazole
• 英文别名: 1,3,4-Thiadiazol-2-amine, 5-(octylthio)-；5-octylsulfanyl-1,3,4-thiadiazol-2-amine
• CAS: 40177-31-9
• 化学式: C₁₀H₁₉N₃S₂
• 分子量: 245.413
• InChiKey: FKFQTBYFZVXOLC-UHFFFAOYSA-N

物化性质

• 沸点：
  387.6±25.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酰乙酸乙酯 、 5-amino-2-n-octylthio-1,3,4-thiadiazole 以37%的产率得到
  参考文献：
  名称：

  SUIKO M.; MAEKAWA K., AGR. AND BIOL. CHEM. , 1977, 41, NO 10, 2047-2053

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium 2-amino-5-mercapto-1,3,4-thiadiazolate 生成 5-amino-2-n-octylthio-1,3,4-thiadiazole
  参考文献：
  名称：

  SUIKO M.; MAEKAWA K., AGR. AND BIOL. CHEM. , 1977, 41, NO 10, 2047-2053

  摘要：

  DOI：

文献信息

• Design and development of 1,3,4-thiadiazole based potent new nano-fungicides
  作者：Suprabhat Pal、Vikrant Singh、Rajesh Kumar、Robin Gogoi

  DOI：10.1016/j.molstruc.2020.128507

  日期：2020.11

  Being the important organic reaction intermediates and biological scaffolds, a series of 2-alkyl/aralkyl/ heterocyclyl sulfanyl-5-amino/methyl-1,3,4-thiadiazoles have been synthesized by suitable synthetic route and characterized by analytical and spectral data. The evaluation of these compounds for their bioefficacy against two phyto-pathogenic fungi revealed their fungicidal potency against Rhizoctonia bataticola (ED50 values, 3.9-300.4 mu g/mL) and Rhizoctonia solani (ED50 values, 4.2-228.5 mu g/mL). To further augment their fungicidal efficacy, the potent five fungicidal compounds were nano-sized. The protocol for preparing 1,3,4-thiadiazole based nano-fungicide employing polyethylene glycol was developed and standardized. Characterization of nano-forms of 1,3,4-thiadiazole derivatives by particle size analyzer and electron microscopy (TEM) techniques confirmed the <100 nm average particle sizes of all nano-fungicides. The 2-4 times higher fungicidal activity was observed with nano-forms than the corresponding conventional sized 1,3,4-thiadiazole derivatives against phytopathogenic fungi, namely, Rhizoctonia solani and R. bataticola. (C) 2020 Elsevier B.V. All rights reserved.
• ——
  作者：

  DOI：——

  日期：——
• OTELEANU D.; DUMITRIU M. A., FARMACIA (RSR) <FRMB-AZ>, 1975, 23, NO 1, 25-30
  作者：OTELEANU D.、 DUMITRIU M. A.

  DOI：——

  日期：——
• SUIKO M.; MAEKAWA K., AGR. AND BIOL. CHEM. <ABCH-A6>, 1977, 41, NO 10, 2047-2053
  作者：SUIKO M.、 MAEKAWA K.

  DOI：——

  日期：——