3-(3,5-dimethyl-pyrazol-1-yl)-benzenesulfonic acid | 91951-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3,5-dimethyl-pyrazol-1-yl)-benzenesulfonic acid
• 英文别名: 3-(3,5-Dimethylpyrazol-1-yl)benzenesulfonic acid
• CAS: 91951-99-4
• 化学式: C₁₁H₁₂N₂O₃S
• 分子量: 252.294
• InChiKey: CEOSEFVBFGYLCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• DYE COMPOUND AND INK CONTAINING DYE COMPOUND
  申请人：Hasegawa Waka

  公开号：US20090293764A1

  公开（公告）日：2009-12-03

  A dye compound has the following general formula (1). In the general formula (1), A 1 denotes N or CR 2 . When A 1 denotes N, R 1 denotes an amino group. When A 1 denotes CR 2 , R 1 and R 2 form an aromatic ring that has an anionic group. R 3 denotes an alkyl group, an aryl group, or an aralkyl group. Cy denotes a substituted or unsubstituted aromatic ring.
• COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND
  申请人：Shintou Taichi

  公开号：US20100089285A1

  公开（公告）日：2010-04-15

  The invention provides a colorant compound represented by the general formula (I) below. In the general formula (I), R 1 and R 2 represent independently from each other a species selected from at least one of an alkyl group, an aryl group, an aralkyl group, an alkoxy group, an aryloxy group, an amino group, and a hydroxyl group. R 3 and R 4 represent independently from each other a species selected from at least one of a hydrogen atom, an alkyl group, an aryl group, a heterocycle group, an amino group, a hydroxyl group, a cyano group, an alkoxy group, an alkylsulfanyl group, a carboxylic acid group, a carboxylic acid ester group, a carboxylic acid thioester group, a carbamoyl group, a nitro group, and a halogen atom. R 3 and R 4 may optionally be bonded together to form an aromatic ring. Cy represents an aryl group having at least one anionic group.
• US7981207B2
  申请人：——

  公开号：US7981207B2

  公开（公告）日：2011-07-19
• US7985288B2
  申请人：——

  公开号：US7985288B2

  公开（公告）日：2011-07-26
• US7981205B2
  申请人：——

  公开号：US7981205B2

  公开（公告）日：2011-07-19