2-(3',4'-dimethoxy)styrylbenzothiazole

• 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: 2-(3',4'-dimethoxy)styrylbenzothiazole
• 英文别名: 2-[2-(3,5-dimethoxyphenyl)ethenyl]benzothiazole；2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-benzothiazole
• 化学式: C₁₇H₁₅NO₂S
• 分子量: 297.378
• InChiKey: UYXIHLJZRGLPED-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 2-(3',4'-dimethoxy)styrylbenzothiazole 以 丙酮 为溶剂， 生成 tetraethylammonium tribromo[2-(3',4'-dimethoxystyryl)benzothiazole]platinate(II)
  参考文献：
  名称：

  Structure of a platinum(II) complex containing a benzothiazole derivative: [NEt4][Pt(3,4-dsb)Br3]

  摘要：

  Tetraethylammoniumtribromo[2-(3',4'-dimethoxy)styrylbenzothiazole]platinate(II), [(C2H5)(4)N]-[PtBr3(C17H15NO2,S)], monoclinic, P2(1)/c, a = 13.454(7), b = 11.991(3), c = 19.004(5)Angstrom, beta = 108.92(3)degrees, V = 2900(4)Angstrom(3), Z = 4, D-x = 1.975 g cm(-3), lambda(MoK alpha) = 0.71073 Angstrom, mu = 95.59 cm(-1), F(000) = 1656, T = 303 K, final R = 0.051 for 2262 unique observed reflections. The structure was solved by heavy atom and Fourier methods. The molecule is nearly planar, with a dihedral angle of only 3.57(7)degrees between the benzothiazole and phenyl rings. The C-S-C angle in the thiazole ring is 91(1)degrees.

  DOI：

  10.1007/bf01671679

文献信息

• Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein
  申请人：Kudo Yukitsuka

  公开号：US20050260126A1

  公开（公告）日：2005-11-24

  A compound, which is used for the diagnosis and the prophylaxis/treatment of diseases in which prion protein is accumulated, or specific staining of abnormal prion protein in samples, represented by the formula (I) or (II): or a salt or solvate thereof.

  一种化合物，用于诊断和预防/治疗朊病毒蛋白蓄积的疾病，或特异性染色样本中的异常朊病毒蛋白，由式（I）或（II）表示： 或其盐或溶解物。