(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride

• ChemBase编号: 275986
• 分子式: C5H7ClN2O4S
• 平均质量: 226.63808
• 单一同位素质量: 225.98150539
• SMILES: C1(C(=O)NC(=O)N1)(CS(=O)(=O)Cl)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)CS(=O)(=O)Cl
• InChI: InChI=1S/C5H7ClN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10)
• InChIKey: GXBXYLVXNQXXNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
• IUPAC传统名: (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
• 别名: (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride

登记号

• MDL号: MFCD19200496
• PubChem SID: 164331896
• PubChem CID: 23133494

理论计算性质

• LogD (pH = 7.4): -1.0262206
• Log P: -1.0198113
• 摩尔折射率: 43.7627 cm^3
• 极化性: 18.0938 Å^3
• 极化表面积: 92.34 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 9.22271
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.0198926

分子性质

理化性质

• 疏水性(logP): -2.204

产品相关信息

• 纯度: 95%