1-(phenylene-1,4-dione)-3,3'-bis(p-ethylphenyl)dithiourea | 1369489-16-6

• 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: 1-(phenylene-1,4-dione)-3,3'-bis(p-ethylphenyl)dithiourea
• 英文别名: N,N'-di((4-ethylphenyl)aminothiocarbonyl)terephthalamide
• CAS: 1369489-16-6
• 化学式: C₂₆H₂₆N₄O₂S₂
• 分子量: 490.65
• InChiKey: UMGXRBTXFCKFHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  82.26
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  对苯二甲酰氯 、 4-乙基苯胺 、 硫氰酸铵 反应 0.5h， 以79%的产率得到1-(phenylene-1,4-dione)-3,3'-bis(p-ethylphenyl)dithiourea
  参考文献：
  名称：

  Pourshamsian, Khalil; Montazeri, Naser; Khameneh, Aylar Shams, Asian Journal of Chemistry, 2012, vol. 24, # 2, p. 837 - 839

  摘要：

  DOI：

文献信息

• One-pot and two-step synthesis of novel carbonylthioureas and dicarbonyldithioureas derivatives
  作者：Alireza Banaei、Jafar Abbasi Shiran、Afshin Saadat、Farnaz Fazlalizadeh Ardabili、Patrick McArdle

  DOI：10.1016/j.molstruc.2015.06.074

  日期：2015.11

  One-pot, two-step synthesis of several 1-cyclopropanecarbony1-3-(substituted phenyl)-thioureas and 1(phenylene-1,4-dione)-3,3'-(substituted phenyl)-dithioureas have been successfully prepared. The structures of the synthesized compounds were confirmed by elemental analysis, FT-IR spectroscopy and NMR. Also the crystal structure one of these compounds was determined by X-ray crystallography. All synthesized compounds were evaluated for antibacterial activity using Salmonella enterica (SE), Micrococcus luteus (ML), Bacillus subtilis (BS) and Pseudomonas aeruginosa (PS). (C) 2015 Elsevier B.V. All rights reserved.