6-Cyclohexyl-1H-pyridine-2-thione | 676133-19-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-Cyclohexyl-1H-pyridine-2-thione
• 英文别名: 6-Cyclohexylpyridine-2(1H)-thione；6-cyclohexyl-1H-pyridine-2-thione
• CAS: 676133-19-0
• 化学式: C₁₁H₁₅NS
• 分子量: 193.313
• InChiKey: PPHHGEQKEXTMDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  二甲氨基氯乙烷盐酸 、 6-Cyclohexyl-1H-pyridine-2-thione 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethanamine
  参考文献：
  名称：

  Thiazoles and thiopyridines: novel series of high affinity h5HT7 ligands

  摘要：

  A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.050
• 作为产物：
  描述：

  2-溴-6-苄氧基吡啶 在 palladium on activated charcoal 劳森试剂 、 1,2-双(二苯基膦)乙烷氯化镍 、 氢气 作用下， 以 乙二醇二甲醚 、 乙醚 、 乙醇 为溶剂， 生成 6-Cyclohexyl-1H-pyridine-2-thione
  参考文献：
  名称：

  Thiazoles and thiopyridines: novel series of high affinity h5HT7 ligands

  摘要：

  A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.050

文献信息

• Thiazoles and thiopyridines: novel series of high affinity h5HT7 ligands
  作者：Christopher G. Thomson、Margaret S. Beer、Neil R. Curtis、Helen J. Diggle、Emma Handford、Janusz J. Kulagowski

  DOI：10.1016/j.bmcl.2003.11.050

  日期：2004.2

  A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. (C) 2003 Elsevier Ltd. All rights reserved.