sodium hydroxymethanesulfinate

• ChemBase ID: 112199
• Molecular Formular: CH3NaO3S
• Molecular Mass: 118.08749
• Monoisotopic Mass: 117.97005924
• SMILES: [Na+].OCS(=O)[O-]
• Canonical SMILES: [O-]S(=O)CO.[Na+]
• InChI: InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
• InChIKey: XWGJFPHUCFXLBL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydroxymethanesulfinate
• IUPAC Traditional name: potassium hydroxymethanesulfinate; sodium hydroxymethanesulfinate
• Synonyms: Hydroxymethanesulfinic acid sodium salt; Sodium hydroxymethanesulfinate; SODIUM FORMALDEHYDE SULFOXYLATE; Sodium formaldehydesulfoxylate; sodium oxymethylene sulfoxylate; Rongalite

Database IDs

• CAS Number: 149-44-0
• EC Number: 205-739-4
• PubChem SID: 162096903
• PubChem CID: 23689980; 8999
• Chemspider ID: 8649
• Unique Ingredient Identifier: X4ZGP7K714
• Wikipedia Title: Rongalite

CALCULATED PROPERTIES

• Acid pKa: -1.1928968
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2043839
• LogD (pH = 7.4): -3.2043998
• Log P: -0.9406
• Molar Refractivity: 15.6269 cm^3
• Polarizability: 7.354944 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 600 g/L, dihydrate (approximate) in water
• Apperance: colorless crystals
• Melting Point: 64.5 °C, dihydrate
• Density: 1.75 g/cm^3, dihydrate
• pKa: decomp. at low pH

Safety Information

• RTECS: PB0380000
• Safety Statements: R R: 36/37/38 S:26-36
• Main Hazard: non-toxic

DETAILS

MP Biomedicals - 05222889

MP Biomedicals Rare Chemical collection