2-hydroxy-3-bromo-phenyl-thiosemicarbazone | 7410-45-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-hydroxy-3-bromo-phenyl-thiosemicarbazone
• 英文别名: 2-[(5-Bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazine-1-carbothioamide；[(3-bromo-2-hydroxyphenyl)methylideneamino]thiourea
• CAS: 7410-45-9
• 化学式: C₈H₈BrN₃OS
• 分子量: 274.141
• InChiKey: XWYWQOKHTWKNBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-溴柳醛 、 氨基硫脲 以 甲醇 为溶剂， 反应 12.0h， 生成 2-hydroxy-3-bromo-phenyl-thiosemicarbazone
  参考文献：
  名称：

  A novel fluorescent and colorimetric anion sensor based on thiourea derivative in competitive media

  摘要：

  A novel and simple fluorescent receptor bearing thiourea moiety as recognition site was described. The recognition behavior of the receptor toward different anions was investigated in DMSO/H2O (95:5 v/v) and dry DMSO through two various channels: the colorless-yellow color change and a remarkable enhancement of the fluorescence. And the enhancement of the fluorescence was attributed to an anion-induced increase of the rigidity of the host molecule. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2007.10.047