sulfinosulfinic acid

• ChemBase ID: 127166
• Molecular Formular: H2O4S2
• Molecular Mass: 130.14348
• Monoisotopic Mass: 129.93945054
• SMILES: O=S(O)S(=O)O
• Canonical SMILES: OS(=O)S(=O)O
• InChI: InChI=1S/H2O4S2/c1-5(2)6(3)4/h(H,1,2)(H,3,4)
• InChIKey: GRWZHXKQBITJKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfinosulfinic acid
• IUPAC Traditional name: dithionous acid
• Synonyms: Hydrosulfurous acid; Hyposulfurous acid; Dithionous acid

Database IDs

• CAS Number: 15959-26-9
• PubChem SID: 162221488
• PubChem CID: 24490
• CHEBI ID: 29253
• Chemspider ID: 22898
• Wikipedia Title: Dithionous_acid

CALCULATED PROPERTIES

• Acid pKa: -3.4771795
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -6.132628
• LogD (pH = 7.4): -6.132662
• Log P: -1.5210184
• Molar Refractivity: 19.5266 cm^3
• Polarizability: 9.258763 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• pKa: 0.35, 2.45