2-methyl-3-phenylthiophene

• ChemBase编号: 79668
• 分子式: C11H10S
• 平均质量: 174.2621
• 单一同位素质量: 174.05032132
• SMILES: s1c(c(c2ccccc2)cc1)C
• Canonical SMILES: Cc1sccc1c1ccccc1
• InChI: InChI=1S/C11H10S/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: CZEDCCWCCIETGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-3-phenylthiophene
• IUPAC传统名: 2-methyl-3-phenylthiophene
• 别名: 2-methyl-3-phenylthiophene

登记号

• MDL号: MFCD00204086
• PubChem SID: 162044431
• PubChem CID: 2775308

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.046774
• LogD (pH = 7.4): 4.046774
• Log P: 4.046774
• 摩尔折射率: 53.3563 cm^3
• 极化性: 21.772045 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true