1-(2-methylprop-2-en-1-yl)-2-{[2-(2-methylprop-2-en-1-yl)phenyl]sulfanyl}benzene

• ChemBase编号: 110799
• 分子式: C20H22S
• 平均质量: 294.45368
• 单一同位素质量: 294.1442217
• SMILES: CC(=C)Cc1ccccc1Sc1ccccc1CC(=C)C
• Canonical SMILES: CC(=C)Cc1ccccc1Sc1ccccc1CC(=C)C
• InChI: InChI=1S/C20H22S/c1-15(2)13-17-9-5-7-11-19(17)21-20-12-8-6-10-18(20)14-16(3)4/h5-12H,1,3,13-14H2,2,4H3
• InChIKey: ZDCGXIGIYMYNOP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-methylprop-2-en-1-yl)-2-{[2-(2-methylprop-2-en-1-yl)phenyl]sulfanyl}benzene
• IUPAC传统名: 1-(2-methylprop-2-en-1-yl)-2-{[2-(2-methylprop-2-en-1-yl)phenyl]sulfanyl}benzene
• 别名: METHALLYLPHENYL SULFIDE

登记号

• PubChem SID: 162106463
• PubChem CID: 25021884

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.845859
• LogD (pH = 7.4): 6.845859
• Log P: 6.845859
• 摩尔折射率: 95.8807 cm^3
• 极化性: 37.357906 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05216394

MP Biomedicals Rare Chemical collection