sodium methanesulfonic acid

• ChemBase ID: 797152
• Molecular Formular: CH4NaO3S+
• Molecular Mass: 119.09543
• Monoisotopic Mass: 118.97788427
• SMILES: [Na+].CS(=O)(=O)O
• Canonical SMILES: CS(=O)(=O)O.[Na+]
• InChI: InChI=1S/CH4O3S.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1
• InChIKey: KKVTYAVXTDIPAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium methanesulfonic acid
• IUPAC Traditional name: sodium methanesulfonic acid
• Synonyms: Methanesulfonic acid SodiuM Salt

Database IDs

• CAS Number: 2386-57-4

CALCULATED PROPERTIES

• Acid pKa: -1.6106497
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3367643
• LogD (pH = 7.4): -3.3367722
• Log P: -0.9603736
• Molar Refractivity: 16.5315 cm^3
• Polarizability: 7.422034 Å^3
• Polar Surface Area: 54.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%