3-Methyl-4-(3-methyl-1,2-oxazol-4-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(4-methyl-1,2-oxazol-3-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(4-methyl-1,2-oxazol-5-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(5-methyl-1,2-oxazol-4-yl)-5-methylsulfanylthiophene-2-carbonitrile

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-Methyl-4-(3-methyl-1,2-oxazol-4-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(4-methyl-1,2-oxazol-3-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(4-methyl-1,2-oxazol-5-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(5-methyl-1,2-oxazol-4-yl)-5-methylsulfanylthiophene-2-carbonitrile
• 英文别名: 3-methyl-4-(3-methyl-1,2-oxazol-4-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(4-methyl-1,2-oxazol-3-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(4-methyl-1,2-oxazol-5-yl)-5-methylsulfanylthiophene-2-carbonitrile;3-methyl-4-(5-methyl-1,2-oxazol-4-yl)-5-methylsulfanylthiophene-2-carbonitrile
• 化学式: C44H40N8O4S8
• 分子量: 1001.4
• InChiKey: FYFHTVWGIPJGBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.45
• 重原子数：
  64
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  413
• 氢给体数：
  0
• 氢受体数：
  20