5-Methoxy-2-methyl-6-p-tolylsulfanyl-benzothiazole-4,7-dione | 650635-75-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-Methoxy-2-methyl-6-p-tolylsulfanyl-benzothiazole-4,7-dione
• 英文别名: 5-Methoxy-2-methyl-6-[(4-methylphenyl)sulfanyl]-1,3-benzothiazole-4,7-dione；5-methoxy-2-methyl-6-(4-methylphenyl)sulfanyl-1,3-benzothiazole-4,7-dione
• CAS: 650635-75-9
• 化学式: C₁₆H₁₃NO₃S₂
• 分子量: 331.416
• InChiKey: YIFGZXNFUWAFLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲苯硫酚 、 5-甲氧基-2-甲基-4,7-苯并噻唑二酮 以 乙醇 为溶剂， 以50%的产率得到5-Methoxy-2-methyl-6-p-tolylsulfanyl-benzothiazole-4,7-dione
  参考文献：
  名称：

  Synthesis and antifungal activity of 6-arylthio-/6-Arylamino-4,7-dioxobenzothiazoles

  摘要：

  6-Arylthio-/6-arylamino-4,7-dioxobenzothiazoles were synthesized and tested for in vitro antifungal activity against Candida species and Aspergillus niger. 6-Arylamino-4,7-dioxobenzothiazoles 5 and 6 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzothiazoles 3 and 4. The 6-arylamino-substituted compounds 5 and 6 exhibited the greatest activity. In contrast, 6-arylthio-, 2-/5-methyl- or 5-methoxy-moieties of compounds 3-4 did not improve their antifungal activity significantly. The results of this study suggest that 6-arylamino-4,7-dioxobenzothiazoles would be potent antifungal agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00390-0

文献信息

• Synthesis and antifungal activity of 6-arylthio-/6-Arylamino-4,7-dioxobenzothiazoles
  作者：Chung-Kyu Ryu、Ko Un Choi、Ju-Yeon Shim、Hea-Jung You、Ik Hwa Choi、Mi Jin Chae

  DOI：10.1016/s0968-0896(03)00390-0

  日期：2003.9

  6-Arylthio-/6-arylamino-4,7-dioxobenzothiazoles were synthesized and tested for in vitro antifungal activity against Candida species and Aspergillus niger. 6-Arylamino-4,7-dioxobenzothiazoles 5 and 6 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzothiazoles 3 and 4. The 6-arylamino-substituted compounds 5 and 6 exhibited the greatest activity. In contrast, 6-arylthio-, 2-/5-methyl- or 5-methoxy-moieties of compounds 3-4 did not improve their antifungal activity significantly. The results of this study suggest that 6-arylamino-4,7-dioxobenzothiazoles would be potent antifungal agents. (C) 2003 Elsevier Ltd. All rights reserved.