4-({[3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid

• 常用名: 4-({[3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
• 英文名: 4-({[3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
• CAS号: 477330-71-5
• 分子量: 478.583
• 密度: 1.4±0.1 g/cm3
• 沸点: 741.5±70.0 °C at 760 mmHg
• 分子式: C₂₅H₂₂N₂O₄S₂
• 熔点: N/A
• 闪点: 402.2±35.7 °C

名称

• 英文名: 4-({[3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid

物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 741.5±70.0 °C at 760 mmHg
• 分子式: C₂₅H₂₂N₂O₄S₂
• 分子量: 478.583
• 闪点: 402.2±35.7 °C
• 精确质量: 478.102112
• LogP: 5.99
• InChIKey: TWUHBIHMYOADRI-UHFFFAOYSA-N
• SMILES: COc1ccc(-n2c(SCc3ccc(C(=O)O)cc3)nc3sc4c(c3c2=O)CCCC4)cc1
• 蒸汽压: 0.0±2.6 mmHg at 25°C
• 折射率: 1.716

英文别名

• Benzoic acid, 4-[[[3,4,5,6,7,8-hexahydro-3-(4-methoxyphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]methyl]-
• 4-({[3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid