2,5-bis(naphthalen-1-ylmethylthio)-1,3,4-thiadiazole | 613228-29-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,5-bis(naphthalen-1-ylmethylthio)-1,3,4-thiadiazole
• 英文别名: 2,5-Bis[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazole；2,5-bis(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
• CAS: 613228-29-8
• 化学式: C₂₄H₁₈N₂S₃
• 分子量: 430.618
• InChiKey: RBYDRAPHDDZYNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,5-二巯基噻二唑 、 (氯甲基)萘 在 sodium hydroxide 作用下， 以 水 为溶剂， 以86%的产率得到2,5-bis(naphthalen-1-ylmethylthio)-1,3,4-thiadiazole
  参考文献：
  名称：

  Synthesis of Some Novel 1,3,4- and 1,2,4-Thiadiazole Derivatives

  摘要：

  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).

  DOI：

  10.1080/10426500802625453

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).