N-(9-anthrylmethyl)-N-(6-{9-anthrylmethyl[(phenylamino)carbothioyl]amino}-hexyl)-N'-phenylthiourea | 1244546-85-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N-(9-anthrylmethyl)-N-(6-{9-anthrylmethyl[(phenylamino)carbothioyl]amino}-hexyl)-N'-phenylthiourea
• 英文别名: N-(9-anthrylmethyl)-N-(6-{9-anthrylmethyl[(phenylamino)carbothioyl]amino}hexyl)-N'-phenylthiourea；1-(anthracen-9-ylmethyl)-1-[6-[anthracen-9-ylmethyl(phenylcarbamothioyl)amino]hexyl]-3-phenylthiourea
• CAS: 1244546-85-7
• 化学式: C₅₀H₄₆N₄S₂
• 分子量: 767.074
• InChiKey: NNBFVQLEJLZMJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  56
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  94.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N'-bis(anthracen-9-ylmethyl)hexane-1,6-diamine 、 硫代异氰酸苯酯 以 苯 为溶剂， 反应 2.0h， 以76%的产率得到N-(9-anthrylmethyl)-N-(6-{9-anthrylmethyl[(phenylamino)carbothioyl]amino}-hexyl)-N'-phenylthiourea
  参考文献：
  名称：

  Chemosensor properties of mono- and bisthioureas based on 9-anthrylmethyl-substituted alkylamines and diamines

  摘要：

  Mono- and bisthioureas were synthesized based on N-(9-anthrylmethyl)-substituted alkylamines and diamines. Their luminescent and complexing properties were studied by the electronic, IR, and NMR (1)H spectroscopy. N-(9-Anthrylmethyl)-N-(6-{9-anthrylmethyl[(phenylamino)carbothioyl]amino}hexyl)-N'-phenylthiourea was shown to be a highly effective fluorescent chemosensor for Hg(2+) cations.

  DOI：

  10.1134/s1070363210040146