potassium (4-hydrazinylphenyl)dihydroxy-$l^{4}-sulfanolate

• ChemBase编号: 78237
• 分子式: C6H9KN2O3S
• 平均质量: 228.31056
• 单一同位素质量: 227.99709484
• SMILES: S(c1ccc(cc1)NN)(O)(O)[O-].[K+]
• Canonical SMILES: NNc1ccc(cc1)S(O)(O)[O-].[K+]
• InChI: InChI=1S/C6H10N2O3S.K/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4,8-11H,7H2;/q;+1/p-1
• InChIKey: GUIGTSRHCXJNPI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium (4-hydrazinylphenyl)dihydroxy-$l^{4}-sulfanolate
• IUPAC传统名: potassium ion (4-hydrazinylphenyl)dihydroxy-$l^{4}-sulfanolate
• 别名: Potassium 4-hydrazinobenzenesulphonate; 4-Hydrazinobenzenesulphonic acid potassium salt

登记号

• PubChem SID: 162104453
• PubChem CID: 44118657

理论计算性质

• Acid pKa: 15.847954
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): 0.18733174
• LogD (pH = 7.4): 0.37286216
• Log P: 0.37582445
• 摩尔折射率: 47.5089 cm^3
• 极化性: 18.291527 Å^3
• 极化表面积: 101.57 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true