methyl 2-[(4-bromophenyl)carbamothioyl]hydrazinecarbodithioate | 1451061-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-[(4-bromophenyl)carbamothioyl]hydrazinecarbodithioate
• CAS: 1451061-66-7
• 化学式: C₉H₁₀BrN₃S₃
• 分子量: 336.3
• InChiKey: KLIGPZKRNMGSAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  36.09
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-溴苯胺 在 氨 、 一水合肼 、 sodium hydroxide 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 13.0h， 生成 methyl 2-[(4-bromophenyl)carbamothioyl]hydrazinecarbodithioate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel thiosemicarbazide analogues as potent anticonvulsant agents

  摘要：

  Novel thiosemicarbazide derivatives were synthesised and evaluated for their anticonvulsant activity and neurotoxicity. Anticonvulsant activity was done for grand mal and petit mal types of epilepsies by maximal electroshock (MES) and pentylenetetrazol (PTZ) induced convulsions methods respectively. Rotarod test was done to determine neurotoxicity. Amongst synthesised compounds, N-(4-bromophenyl) 2-[(2-phenylhydrazinyl) carbonothioyl] hydrazinecarbothioamide (5e) is a broad-spectrum anticonvulsant agent since it was active in both (MES) and (PTZ) induced seizure models with no neurotoxicity and N, N-(bis(chlorophenyl) hydrazine-1,2-dicarbothoamide (5g) acts as a selective agent for grand mal epilepsy. (C) 2014 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2014.04.002