2-(2-methoxyethoxy)ethane-1-sulfonyl chloride

• ChemBase ID: 239314
• Molecular Formular: C5H11ClO4S
• Molecular Mass: 202.65644
• Monoisotopic Mass: 202.00665751
• SMILES: S(=O)(=O)(CCOCCOC)Cl
• Canonical SMILES: COCCOCCS(=O)(=O)Cl
• InChI: InChI=1S/C5H11ClO4S/c1-9-2-3-10-4-5-11(6,7)8/h2-5H2,1H3
• InChIKey: KOZZDLZQMLPWDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(2-methoxyethoxy)ethanesulfonyl chloride
• Synonyms: 2-(2-methoxyethoxy)ethane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD14529336
• PubChem SID: 164295224
• PubChem CID: 52983809

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.13673906
• LogD (pH = 7.4): -0.13673906
• Log P: -0.13673906
• Molar Refractivity: 42.314 cm^3
• Polarizability: 17.610554 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.163

Product Information

• Purity: 95%