(sulfooxy)sulfonic acid

• ChemBase ID: 127161
• Molecular Formular: H2O7S2
• Molecular Mass: 178.14168
• Monoisotopic Mass: 177.9241944
• SMILES: OS(=O)(=O)OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)OS(=O)(=O)O
• InChI: InChI=1S/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)
• InChIKey: VFNGKCDDZUSWLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (sulfooxy)sulfonic acid
• IUPAC Traditional name: disulfuric acid
• Synonyms: Pyrosulfuric acid; Disulfuric acid

Database IDs

• CAS Number: 7783-05-3
• EC Number: 231-976-8
• PubChem SID: 162221483
• PubChem CID: 62682
• CHEBI ID: 29211
• Chemspider ID: 56433
• MeSH Name: Pyrosulfuric+acid
• Wikipedia Title: Disulfuric_acid

CALCULATED PROPERTIES

• Acid pKa: -3.4438145
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.8375955
• LogD (pH = 7.4): -5.8375964
• Log P: -1.0847987
• Molar Refractivity: 23.7626 cm^3
• Polarizability: 11.494699 Å^3
• Polar Surface Area: 117.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36°C