dipotassium (sulfonatoamino)sulfonate

• ChemBase ID: 137785
• Molecular Formular: HK2NO6S2
• Molecular Mass: 253.33764
• Monoisotopic Mass: 252.85194212
• SMILES: N(S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
• Canonical SMILES: [O-]S(=O)(=O)NS(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/2K.H3NO6S2/c;;2-8(3,4)1-9(5,6)7/h;;1H,(H,2,3,4)(H,5,6,7)/q2*+1;/p-2
• InChIKey: HAJLPMNXWZUYTL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (sulfonatoamino)sulfonate
• IUPAC Traditional name: dipotassium sulfonatoaminosulfonate
• Synonyms: Potassium imidodisulfonate; 亚胺二磺酸钾

Database IDs

• CAS Number: 14696-74-3
• MDL Number: MFCD01321248
• PubChem SID: 24870446; 162232046
• PubChem CID: 16213114

CALCULATED PROPERTIES

• Acid pKa: -2.68871
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -6.5622687
• LogD (pH = 7.4): -6.516452
• Log P: -1.8139594
• Molar Refractivity: 23.469 cm^3
• Polarizability: 11.604385 Å^3
• Polar Surface Area: 126.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 430 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Linear Formula: HN(SO3K)2