2-methyl-3-(4-bromophenylthio)-1,4-naphthalenedione | 1246635-51-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methyl-3-(4-bromophenylthio)-1,4-naphthalenedione
• 英文别名: 2-(4-Bromophenyl)sulfanyl-3-methylnaphthalene-1,4-dione；2-(4-bromophenyl)sulfanyl-3-methylnaphthalene-1,4-dione
• CAS: 1246635-51-7
• 化学式: C₁₇H₁₁BrO₂S
• 分子量: 359.243
• InChiKey: MUJSPIBTFZIXDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,3-环氧-2,3-二氢-2-甲基-1,4-萘醌 、 4-溴苯硫酚 在 potassium hydroxide 作用下， 以 异丙醇 为溶剂， 反应 3.0h， 以51%的产率得到2-methyl-3-(4-bromophenylthio)-1,4-naphthalenedione
  参考文献：
  名称：

  Control of relationship between conformational and color polymorphs of achiral 2-methyl-3-arylthio-1,4-naphthalenediones

  摘要：

  The achiral compound 2-methyl-3-(4-bromophenylthio)-1,4-naphthalenedione shows conformational and color polymorphism. The relationship between the conformational and color polymorphs (chirality and color) of 2-methyl-3-arylthio-1,4-naphthalenediones can change according to the type of arylthio group. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.07.032

文献信息

• Control of relationship between conformational and color polymorphs of achiral 2-methyl-3-arylthio-1,4-naphthalenediones
  作者：Takafumi Kinuta、Tomohiro Sato、Takunori Harada、Nobuo Tajima、Reiko Kuroda、Yoshio Matsubara、Yoshitane Imai

  DOI：10.1016/j.molstruc.2010.07.032

  日期：2010.10

  The achiral compound 2-methyl-3-(4-bromophenylthio)-1,4-naphthalenedione shows conformational and color polymorphism. The relationship between the conformational and color polymorphs (chirality and color) of 2-methyl-3-arylthio-1,4-naphthalenediones can change according to the type of arylthio group. (C) 2010 Elsevier B.V. All rights reserved.