sulfinosulfonic acid

• ChemBase ID: 127162
• Molecular Formular: H2O5S2
• Molecular Mass: 146.14288
• Monoisotopic Mass: 145.93436516
• SMILES: O=S(=O)(O)S(=O)O
• Canonical SMILES: OS(=O)S(=O)(=O)O
• InChI: InChI=1S/H2O5S2/c1-6(2)7(3,4)5/h(H,1,2)(H,3,4,5)
• InChIKey: WBZKQQHYRPRKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfinosulfonic acid
• IUPAC Traditional name: disulfurous acid
• Synonyms: pyrosulfurous acid; Disulfurous acid

Database IDs

• PubChem SID: 162221484
• PubChem CID: 28020
• CHEBI ID: 29252
• Chemspider ID: 26062
• Wikipedia Title: Disulfurous_acid

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: -4.517556
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -6.1855607
• LogD (pH = 7.4): -6.1855636
• Log P: -1.5739199
• Molar Refractivity: 20.9695 cm^3
• Polarizability: 9.962583 Å^3
• Polar Surface Area: 91.67 Å^2
• Rotatable Bonds: 1