2-ethoxyethane-1-sulfonyl chloride

• ChemBase ID: 265237
• Molecular Formular: C4H9ClO3S
• Molecular Mass: 172.63046
• Monoisotopic Mass: 171.99609283
• SMILES: S(=O)(=O)(CCOCC)Cl
• Canonical SMILES: CCOCCS(=O)(=O)Cl
• InChI: InChI=1S/C4H9ClO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3
• InChIKey: UIZKSVKQIJNZNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-ethoxyethanesulfonyl chloride
• Synonyms: 2-ethoxyethane-1-sulfonyl chloride; 2-Ethoxyethanesulfonyl chloride

Database IDs

• CAS Number: 69371-75-1
• MDL Number: MFCD10032392
• PubChem SID: 164321147
• PubChem CID: 22491139

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2670444
• LogD (pH = 7.4): 0.2670444
• Log P: 0.2670444
• Molar Refractivity: 36.0191 cm^3
• Polarizability: 15.032018 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.638

Product Information

• Purity: 95%; 95+%