3-methylthioguaiazulene | 2978-88-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-methylthioguaiazulene
• 英文别名: 3-Methylthio-guajazulen；1,4-Dimethyl-3-methylsulfanyl-7-propan-2-ylazulene；1,4-dimethyl-3-methylsulfanyl-7-propan-2-ylazulene
• CAS: 2978-88-3
• 化学式: C₁₆H₂₀S
• 分子量: 244.401
• InChiKey: YHINHHCTSUGNRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-methylthioguaiazulene 在 sodium periodate 作用下， 以 甲醇 为溶剂， 生成 Methyl-1-(3,8-dimethyl-5-isopropylazulyl)-sulfoxid
  参考文献：
  名称：

  Organosulfur derivatives of azulene. II. 1-Azulyl sulfoxides and sulfones

  摘要：

  DOI：

  10.1021/jo01281a046
• 作为产物：
  描述：

  愈创奥 在 silica gel 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 1.33h， 生成 3-methylthioguaiazulene
  参考文献：
  名称：

  一些芴衍生物的电子结构和氧化电位

  摘要：

  基于 MNDO 和 PM3 方法的 MO 计算，研究了 azulene (1) 及其烷基化衍生物的电子结构。有结果是通过测量进行实验评估的。

  DOI：

  10.1246/bcsj.69.2003

文献信息

• ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS, AND GALLIUM PHTHALOCYANINE CRYSTAL
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20150316863A1

  公开（公告）日：2015-11-05

  An electrophotographic photosensitive member is provided. The electrophotographic photosensitive member can output an image having few image defects due to a ghost phenomenon not only under a normal temperature and normal humidity environment but also even under a low temperature and low humidity environment, which is particularly a strict condition. A process cartridge and an electrophotographic apparatus having the electrophotographic photosensitive member are also provided. The electrophotographic photosensitive member has a support and a photosensitive layer formed on the support, wherein the photosensitive layer includes a gallium phthalocyanine crystal including a compound having a structure in which a 7-membered ring and a 5-membered ring are condensed to each other within the crystal.
• Organosulfur derivatives of azulene. II. 1-Azulyl sulfoxides and sulfones
  作者：Lanny L. Replogle、James R. Maynard

  DOI：10.1021/jo01281a046

  日期：1967.6
• Electronic Structures and Oxidation Potentials of Some Azulene Derivatives
  作者：Teruo Kurihara、Takanori Suzuki、Hidetsugu Wakabayashi、Sumio Ishikawa、Kimio Shindo、Yuji Shimada、Hiroshi Chiba、Tsutomu Miyashi、Masafumi Yasunami、Tetsuo Nozoe

  DOI：10.1246/bcsj.69.2003

  日期：1996.7

  The electronic structures of azulene (1) and its alkylated derivatives were investigated on the basis of MO calculations by MNDO and PM3 method. There results were experimentally evaluated by measu...

  基于 MNDO 和 PM3 方法的 MO 计算，研究了 azulene (1) 及其烷基化衍生物的电子结构。有结果是通过测量进行实验评估的。