sodium methanesulfonylsulfanide

• ChemBase ID: 177815
• Molecular Formular: CH3NaO2S2
• Molecular Mass: 134.15309
• Monoisotopic Mass: 133.94721562
• SMILES: S(=O)(=O)(C)[S-].[Na+]
• Canonical SMILES: [S-]S(=O)(=O)C.[Na+]
• InChI: InChI=1S/CH4O2S2.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
• InChIKey: JFTZUZWJGUCSTE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium methanesulfonylsulfanide
• IUPAC Traditional name: sodium methanesulfonylsulfanide
• Synonyms: Methanesulfonothioic Acid, Sodium Salt; Na-MTS; Methanesulfonothioic Acid Sodium Salt; Sodium Methanethiosulfonate

Database IDs

• CAS Number: 1950-85-2
• PubChem SID: 164233725
• PubChem CID: 23688755

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.7577745
• LogD (pH = 7.4): -1.7577745
• Log P: -0.21479255
• Molar Refractivity: 23.4007 cm^3
• Polarizability: 10.314863 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; DMSO; Hot Ethanol; Water
• Apperance: White Solid
• Melting Point: 272-273.5°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Moisture Sensitive: Desiccate