sodium propane-1-sulfonate

• ChemBase ID: 104555
• Molecular Formular: C3H7NaO3S
• Molecular Mass: 146.14065
• Monoisotopic Mass: 146.00135937
• SMILES: [Na+].CCCS(=O)(=O)[O-]
• Canonical SMILES: CCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C3H8O3S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
• InChIKey: NPAWNPCNZAPTKA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium propane-1-sulfonate
• IUPAC Traditional name: potassium propane-1-sulfonate; sodium propane-1-sulfonate
• Synonyms: PROPANESULFONIC ACID; 1-Propanesulfonic acid sodium salt; Sodium 1-propanesulfonate; 正丙烷磺酸钠

Database IDs

• CAS Number: 14533-63-2
• EC Number: 238-564-7
• MDL Number: MFCD00062546
• PubChem SID: 162091757
• PubChem CID: 4319363

CALCULATED PROPERTIES

• Acid pKa: -1.0590653
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3052244
• LogD (pH = 7.4): -2.3052526
• Log P: 0.071146
• Molar Refractivity: 24.8062 cm^3
• Polarizability: 10.888813 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156390

Sodium Salt