2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethane-1-sulfonyl fluoride

• ChemBase编号: 252155
• 分子式: C7H11FN2O4S
• 平均质量: 238.2366432
• 单一同位素质量: 238.04235606
• SMILES: N1(C(=O)NC(C1=O)(C)C)CCS(=O)(=O)F
• Canonical SMILES: O=C1NC(C(=O)N1CCS(=O)(=O)F)(C)C
• InChI: InChI=1S/C7H11FN2O4S/c1-7(2)5(11)10(6(12)9-7)3-4-15(8,13)14/h3-4H2,1-2H3,(H,9,12)
• InChIKey: FYKCZPQVZFNDCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethane-1-sulfonyl fluoride
• IUPAC传统名: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonyl fluoride
• 别名: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethanesulfonyl fluoride

登记号

• MDL号: MFCD08239602
• PubChem SID: 164308065
• PubChem CID: 16227105

理论计算性质

• Acid pKa: 10.250508
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.7269241
• LogD (pH = 7.4): -0.72752184
• Log P: -0.7269165
• 摩尔折射率: 48.773 cm^3
• 极化性: 19.589622 Å^3
• 极化表面积: 83.55 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.665

产品相关信息

• 纯度: 95%