sodium methanesulfinylmethanide

• ChemBase ID: 129538
• Molecular Formular: C2H5NaOS
• Molecular Mass: 100.11527
• Monoisotopic Mass: 99.99588006
• SMILES: [Na+].O=S([CH2-])C
• Canonical SMILES: [CH2-]S(=O)C.[Na+]
• InChI: InChI=1S/C2H5OS.Na/c1-4(2)3;/h1H2,2H3;/q-1;+1
• InChIKey: CWXOAQXKPAENDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium methanesulfinylmethanide
• IUPAC Traditional name: sodium methanesulfinylmethanide
• Synonyms: sodium dimsylate; dimsylsodiue; NaDMSYL; Sodium methylsulfinylmethylide

Database IDs

• CAS Number: 15590-23-5
• PubChem SID: 162223830
• PubChem CID: 10154010
• Chemspider ID: 8329518
• Wikipedia Title: Sodium_methylsulfinylmethylide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4078656
• LogD (pH = 7.4): -1.4078656
• Log P: -1.4078656
• Molar Refractivity: 19.9332 cm^3
• Polarizability: 7.916494 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts forming DMSO in water; Very soluble in DMSO and many polar organic solvents
• Apperance: Colorless solid, may be apple-green or purple in solution

Safety Information

• Main Hazard: decomposes to corrosive NaOH