S-heptyl dithiocarbazate | 66528-20-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: S-heptyl dithiocarbazate
• 英文别名: heptyl N-aminocarbamodithioate
• CAS: 66528-20-9
• 化学式: C₈H₁₈N₂S₂
• 分子量: 206.376
• InChiKey: WJKDMCVRSZPHOA-UHFFFAOYSA-N

物化性质

• 沸点：
  305.8±25.0 °C(Predicted)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  95.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-heptyl dithiocarbazate 、 4-叔丁基-2,6-二甲酰基苯酚 以 乙醇 、 水 为溶剂， 生成 4-tert-butyl-2,6-bis[N-[[(heptylthio)thiocarbonyl]amino]formimidoyl]phenol
  参考文献：
  名称：

  Synthesis, characterization, and chemical reactivity of soluble bimetallomers

  摘要：

  DOI：

  10.1021/ja00346a031
• 作为产物：
  描述：

  1-碘庚烷 、 二硫代碳酸单酰肼肼盐 以 乙醇 为溶剂， 生成 S-heptyl dithiocarbazate
  参考文献：
  名称：

  Syntheses and uncoupling activities of alkyl dithiocarbazates and alkyl pyridinecarbonyldithiocarbazates

  摘要：

  A series of alkyl dithiocarbazates, alkyl 3-picolinoyldithiocarbazates, alkyl 3-nicotinoyldithiocarbazates, alkyl 3-isonicotinoyldithiocarbazates, and alkyl 3-picolinoyl-2-methyldithiocarbazates was prepared. These alkyl pyridinecarbonyldithiocarbazates were shown to be uncouplers of oxidative phosphorylation in mitochondria. The finding that uncoupling activity increased with increase in the length of the alkyl chains of the compounds indicates that hydrophobicity influences the activity. The nonyl derivatives had the highest activity. The results also suggested that a dissociable acidic proton is necessary for the uncoupling activity.

  DOI：

  10.1021/jm00204a018

文献信息

• US4482639A
  申请人：——

  公开号：US4482639A

  公开（公告）日：1984-11-13
• US4603185A
  申请人：——

  公开号：US4603185A

  公开（公告）日：1986-07-29
• US4625002A
  申请人：——

  公开号：US4625002A

  公开（公告）日：1986-11-25
• US4727123A
  申请人：——

  公开号：US4727123A

  公开（公告）日：1988-02-23
• Syntheses and uncoupling activities of alkyl dithiocarbazates and alkyl pyridinecarbonyldithiocarbazates
  作者：Seiju Kubota、Masayuki Uda、Yasuyuki Mori、Fujio Kametani、Hiroshi Terada

  DOI：10.1021/jm00204a018

  日期：1978.6

  A series of alkyl dithiocarbazates, alkyl 3-picolinoyldithiocarbazates, alkyl 3-nicotinoyldithiocarbazates, alkyl 3-isonicotinoyldithiocarbazates, and alkyl 3-picolinoyl-2-methyldithiocarbazates was prepared. These alkyl pyridinecarbonyldithiocarbazates were shown to be uncouplers of oxidative phosphorylation in mitochondria. The finding that uncoupling activity increased with increase in the length of the alkyl chains of the compounds indicates that hydrophobicity influences the activity. The nonyl derivatives had the highest activity. The results also suggested that a dissociable acidic proton is necessary for the uncoupling activity.