2-methoxyethane-1-sulfonyl chloride

• ChemBase ID: 263855
• Molecular Formular: C3H7ClO3S
• Molecular Mass: 158.60388
• Monoisotopic Mass: 157.98044276
• SMILES: S(=O)(=O)(CCOC)Cl
• Canonical SMILES: COCCS(=O)(=O)Cl
• InChI: InChI=1S/C3H7ClO3S/c1-7-2-3-8(4,5)6/h2-3H2,1H3
• InChIKey: DUNNNVSEUCJEOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-methoxyethanesulfonyl chloride
• Synonyms: 2-methoxyethane-1-sulfonyl chloride; 2-METHOXY-1-ETHANESULFONYL CHLORIDE

Database IDs

• CAS Number: 51517-01-2
• MDL Number: MFCD10032391
• PubChem SID: 164319765
• PubChem CID: 13480221

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.089763544
• LogD (pH = 7.4): -0.089763544
• Log P: -0.089763544
• Molar Refractivity: 31.2705 cm^3
• Polarizability: 13.230262 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.027

Product Information

• Purity: 95%; 98%