5-Methyl-2-methylthio-1,3-thiazol | 21364-42-1

• 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-Methyl-2-methylthio-1,3-thiazol
• 英文别名: 5-Methyl-2-methylmercapto-thiazol；5-Methyl-2-methylmercapto-thiazol, 2-Methylthio-5-methyl-thiazol；5-methyl-2-methylsulfanyl-thiazole；Thiazole, 5-methyl-2-methylthio-；5-methyl-2-methylsulfanyl-1,3-thiazole
• CAS: 21364-42-1
• 化学式: C₅H₇NS₂
• 分子量: 145.249
• InChiKey: WNQORAUJIPRIRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Methyl-2-methylthio-1,3-thiazol 在 MMPP 作用下， 生成
  参考文献：
  名称：

  Substituted heterocyclic analogs as selective COX-2 inhibitors in the flosulide class

  摘要：

  Substituted heterocyclic analogs in the Flosulide class were investigated as potential selective . 6-(4-Ethyl-2-thiazolylthio)-5-methanesulfonamido-3H-isobenzofuran-1-one 14 was found to be the optimal compound in the series with superior in vitro and in vivo activities. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00705-7
• 作为产物：
  描述：

  5-methylene-1,3-thiazolidine-2-thione 、 碘甲烷 在 sodium hydride 作用下， 生成 5-Methyl-2-methylthio-1,3-thiazol
  参考文献：
  名称：

  Hanefeld, Wolfgang; Bercin, Erdogan, Liebigs Annalen der Chemie, 1985, # 1, p. 58 - 64

  摘要：

  DOI：

文献信息

• HANEFELD, W.;BERCIN, E., LIEBIGS ANN. CHEM., 1985, N 1, 58-64
  作者：HANEFELD, W.、BERCIN, E.

  DOI：——

  日期：——
• Substituted heterocyclic analogs as selective COX-2 inhibitors in the flosulide class
  作者：Nathalie Ouimet、Chi-Chung Chan、Stella Charleson、David Claveau、Robert Gordon、Daniel Guay、Chun-Sing Li、Marc Ouellet、David M. Percival、Denis Riendeau、Elizabeth Wong、Robert Zamboni、Petpiboon Prasit

  DOI：10.1016/s0960-894x(98)00705-7

  日期：1999.1

  Substituted heterocyclic analogs in the Flosulide class were investigated as potential selective . 6-(4-Ethyl-2-thiazolylthio)-5-methanesulfonamido-3H-isobenzofuran-1-one 14 was found to be the optimal compound in the series with superior in vitro and in vivo activities. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Hanefeld, Wolfgang; Bercin, Erdogan, Liebigs Annalen der Chemie, 1985, # 1, p. 58 - 64
  作者：Hanefeld, Wolfgang、Bercin, Erdogan

  DOI：——

  日期：——

表征谱图