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

• ChemBase ID: 78237
• Molecular Formular: C6H9KN2O3S
• Molecular Mass: 228.31056
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (4-hydrazinylphenyl)dihydroxy-$l^{4}-sulfanolate
• IUPAC Traditional name: potassium ion (4-hydrazinylphenyl)dihydroxy-$l^{4}-sulfanolate
• Synonyms: Potassium 4-hydrazinobenzenesulphonate; 4-Hydrazinobenzenesulphonic acid potassium salt

Database IDs

• PubChem SID: 162104453
• PubChem CID: 44118657

CALCULATED PROPERTIES

• Acid pKa: 15.847954
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 0.18733174
• LogD (pH = 7.4): 0.37286216
• Log P: 0.37582445
• Molar Refractivity: 47.5089 cm^3
• Polarizability: 18.291527 Å^3
• Polar Surface Area: 101.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true