1,5-bis-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-N'-butylthiourea

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,5-bis-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-N'-butylthiourea
• 英文别名: 1-Butyl-3-[5-(butylcarbamothioylamino)-9,10-dioxoanthracen-1-yl]thiourea；1-butyl-3-[5-(butylcarbamothioylamino)-9,10-dioxoanthracen-1-yl]thiourea
• 化学式: C₂₄H₂₈N₄O₂S₂
• 分子量: 468.644
• InChiKey: ZYNBELKSMQHQRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,5-二氨基蒽醌 、 丁基异硫氰酸酯 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,5-bis-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-N'-butylthiourea
  参考文献：
  名称：

  Selective fluoride sensing using colorimetric reagents containing anthraquinone and urea or thiourea binding sites

  摘要：

  Novel colorimetric reagents for fluoride sensing containing anthraquinone as chromogenic signalling subunit and thiourea (L-1) and urea (L-2) binding sites have been characterised. A selective colour change from orange to brown as observed upon addition of fluoride to CH3CN solutions of L-1 and to DMSO solutions of L' or L-2. (C) 2002 Published by. Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)00363-5

文献信息

• Selective fluoride sensing using colorimetric reagents containing anthraquinone and urea or thiourea binding sites
  作者：Diego Jiménez、Ramón Martı́nez-Máñez、Félix Sancenón、Juan Soto

  DOI：10.1016/s0040-4039(02)00363-5

  日期：2002.4

  Novel colorimetric reagents for fluoride sensing containing anthraquinone as chromogenic signalling subunit and thiourea (L-1) and urea (L-2) binding sites have been characterised. A selective colour change from orange to brown as observed upon addition of fluoride to CH3CN solutions of L-1 and to DMSO solutions of L' or L-2. (C) 2002 Published by. Elsevier Science Ltd.