methyl 2-(1-(4-bromophenyl)ethylidene)hydrazinecarbodithionate | 26151-84-8

• 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-(1-(4-bromophenyl)ethylidene)hydrazinecarbodithionate
• 英文别名: methyl N-[1-(4-bromophenyl)ethylideneamino]carbamodithioate
• CAS: 26151-84-8
• 化学式: C₁₀H₁₁BrN₂S₂
• 分子量: 303.247
• InChiKey: CYUYPZXYFGHEMV-UHFFFAOYSA-N

物化性质

• 沸点：
  374.0±44.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-(1-(4-bromophenyl)ethylidene)hydrazinecarbodithionate 在 肼 作用下， 以 乙醇 为溶剂， 生成 1-amino-3-[1-(4-bromophenyl)ethylideneamino]thiourea
  参考文献：
  名称：

  Substituted hydrazinecarbothioamide as potent antitubercular agents: Synthesis and quantitative structure–activity relationship (QSAR)

  摘要：

  A series of novel substituted hydrazinecarbothioamides was synthesized and evaluated for anti-TB activity. Three most active compounds viz. 1, 6 and 12 were found to exhibit minimum inhibitory concentration (MIC) of 0.4 mu g/mL, whereas four compounds viz. 3, 5, 10 and 11 showed comparatively lesser activity with MIC value of 0.8 mu g/mL against Mycobacterium tuberculosis strain. A highly significant QSAR equation explaining 81.8% variance is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.081
• 作为产物：
  描述：

  肼基二硫代甲酸甲酯 、 4-溴苯乙酮 生成 methyl 2-(1-(4-bromophenyl)ethylidene)hydrazinecarbodithionate
  参考文献：
  名称：

  DE1934809

  摘要：

  公开号：

文献信息

• DE1934809
  申请人：——

  公开号：——

  公开（公告）日：——
• Substituted hydrazinecarbothioamide as potent antitubercular agents: Synthesis and quantitative structure–activity relationship (QSAR)
  作者：Supriya Singh、Pintu K. Mandal、Nagendra Singh、Anup K. Misra、Shubhra Singh、Vinita Chaturvedi、Sudhir Sinha、Anil K. Saxena

  DOI：10.1016/j.bmcl.2010.02.081

  日期：2010.4

  A series of novel substituted hydrazinecarbothioamides was synthesized and evaluated for anti-TB activity. Three most active compounds viz. 1, 6 and 12 were found to exhibit minimum inhibitory concentration (MIC) of 0.4 mu g/mL, whereas four compounds viz. 3, 5, 10 and 11 showed comparatively lesser activity with MIC value of 0.8 mu g/mL against Mycobacterium tuberculosis strain. A highly significant QSAR equation explaining 81.8% variance is described. (C) 2010 Elsevier Ltd. All rights reserved.