4-hydroxy-1,1-dioxo-1$l^{6}-thiolane-3-sulfonyl chloride

• ChemBase编号: 74789
• 分子式: C4H7ClO5S2
• 平均质量: 234.67838
• 单一同位素质量: 233.942343
• SMILES: S1(=O)(=O)CC(O)C(C1)S(=O)(=O)Cl
• Canonical SMILES: OC1CS(=O)(=O)CC1S(=O)(=O)Cl
• InChI: InChI=1S/C4H7ClO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2
• InChIKey: VQTMWFFLLVODHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydroxy-1,1-dioxo-1$l^{6}-thiolane-3-sulfonyl chloride; 4-hydroxy-1,1-dioxo-1λ^6-thiolane-3-sulfonyl chloride
• IUPAC传统名: 4-hydroxy-1,1-dioxo-1$l^{6}-thiolane-3-sulfonyl chloride; 4-hydroxy-1,1-dioxo-1λ^6-thiolane-3-sulfonyl chloride
• 别名: 1,1-Dioxido-4-hydroxytetrahydrothiophene-3-sulphonyl chloride; 3-(Chlorosulphonyl)-1,1-dioxido-4-hydroxytetrahydrothiophene; 4-Hydroxytetrahydrothiophene-3-sulphonyl chloride 1,1-dioxide; 4-hydroxy-1,1-dioxo-1$l^{6}-thiolane-3-sulfonyl chloride

登记号

• CAS号: 106508-20-7
• MDL号: MFCD00195962
• PubChem SID: 162039707
• PubChem CID: 4914839

理论计算性质

• LogD (pH = 7.4): -1.8008105
• Log P: -1.8008099
• 摩尔折射率: 41.5853 cm^3
• 极化性: 18.651917 Å^3
• 极化表面积: 88.51 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true
• Acid pKa: 13.263373
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.8008099

分子性质

理化性质

• 熔点: 111 - 113°C
• 疏水性(logP): -2.401

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 95%