2-methoxyethyl methanesulfonate

• ChemBase ID: 291840
• Molecular Formular: C4H10O4S
• Molecular Mass: 154.1848
• Monoisotopic Mass: 154.0299798
• SMILES: COCCOS(=O)(=O)C
• Canonical SMILES: COCCOS(=O)(=O)C
• InChI: InChI=1S/C4H10O4S/c1-7-3-4-8-9(2,5)6/h3-4H2,1-2H3
• InChIKey: BCKAHDGFNHDQST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl methanesulfonate
• IUPAC Traditional name: 2-methoxyethyl methanesulfonate
• Synonyms: 2-Methoxyethyl methanesulfonate

Database IDs

• CAS Number: 16427-44-4
• MDL Number: MFCD02656401
• PubChem SID: 180677371
• PubChem CID: 146293

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.62938833
• LogD (pH = 7.4): -0.62938833
• Log P: -0.62938833
• Molar Refractivity: 32.0573 cm^3
• Polarizability: 13.813736 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%