2,5-bis(2,4-dinitrophenylthio)-1,3,4-thiadiazole | 79236-82-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,5-bis(2,4-dinitrophenylthio)-1,3,4-thiadiazole
• 英文别名: 2,5-Bis[(2,4-dinitrophenyl)sulfanyl]-1,3,4-thiadiazole
• CAS: 79236-82-1
• 化学式: C₁₄H₆N₆O₈S₃
• 分子量: 482.435
• InChiKey: FZLUPDWJGIASMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 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：
  288
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  1,5-二氯-2,4-二硝基苯 、 2,5-dimercapro-1,3,4-thiadiazole dipotassium salt 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 2,5-bis(2,4-dinitrophenylthio)-1,3,4-thiadiazole
  参考文献：
  名称：

  Bottino; Russo; Blandino, Farmaco, Edizione Scientifica, 1982, vol. 37, # 5, p. 298 - 303

  摘要：

  DOI：

文献信息

• Synthesis of Some Novel 1,3,4- and 1,2,4-Thiadiazole Derivatives
  作者：Yaşar Dürüst

  DOI：10.1080/10426500802625453

  日期：2009.10.30

  Synthesis and spectral characterization of novel 1,3,4-thiadiazole derivatives including one organo-mercury compound are described. Their structure elucidation was performed by means of spectroscopic and physical methods (IR, H-1 NMR, C-13 NMR, MS, X-ray).
• Synthesis,1H NMR spectral properties and conformational preferences of some open-chain and cyclic aromatic sulphides containing pyridine or 1,3,4-thiadiazole units
  作者：Francesco Bottino、Sebastiano Pappalardo

  DOI：10.1002/mrc.1270160102

  日期：1981.5

  AbstractThe conformational preferences in solution of eight new open‐chain and cyclic aromatic sulphides containing pyridine or 1,3,4‐thiadiazole units have been investigated, parallel to those of some structurally related phenyl sulphides, by means of 1H NMR spectroscopy. The results obtained have shown that replacement of phenyl by the pyridyl or the 1,3,4‐thiadiazolyl moieties induces slightly different propeller arrangements, ascribed to the higher conjugative tendency of both electron‐deficient heteroaromatic rings, in all open‐chain mixed sulphides, in opposition to the skew arrangements observed for phenyl sulphide derivatives. No prominent differences have been found for cyclic sulphides, which preferentially adopt the sterically unhindered saddle shape conformation.
• Bottino; Russo; Blandino, Farmaco, Edizione Scientifica, 1982, vol. 37, # 5, p. 298 - 303
  作者：Bottino、Russo、Blandino

  DOI：——

  日期：——