3-hydrazinyl-4-hydroxy-1λ6-thiolane-1,1-dione hydrochloride

• ChemBase编号: 124171
• 分子式: C4H11ClN2O3S
• 平均质量: 202.65974
• 单一同位素质量: 202.0178909
• SMILES: S1(=O)(=O)CC(C(C1)O)NN.Cl
• Canonical SMILES: NNC1CS(=O)(=O)CC1O.Cl
• InChI: InChI=1S/C4H10N2O3S.ClH/c5-6-3-1-10(8,9)2-4(3)7;/h3-4,6-7H,1-2,5H2;1H
• InChIKey: LOZYGZVOLIRHCH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-hydrazinyl-4-hydroxy-1λ^6-thiolane-1,1-dione hydrochloride
• IUPAC传统名: 3-hydrazinyl-4-hydroxy-1λ^6-thiolane-1,1-dione hydrochloride
• 别名: 3-hydrazinyl-4-hydroxytetrahydrothiophene 1,1-dioxide hydrochloride

登记号

• PubChem SID: 162218524
• PubChem CID: 16815475

理论计算性质

• Acid pKa: 13.676654
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -2.760739
• LogD (pH = 7.4): -2.7208586
• Log P: -2.7203252
• 摩尔折射率: 46.1302 cm^3
• 极化性: 15.15248 Å^3
• 极化表面积: 92.42 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HCl