2-hydroxyethane-1-sulfonyl chloride

• ChemBase ID: 284017
• Molecular Formular: C2H5ClO3S
• Molecular Mass: 144.5773
• Monoisotopic Mass: 143.9647927
• SMILES: S(=O)(=O)(CCO)Cl
• Canonical SMILES: OCCS(=O)(=O)Cl
• InChI: InChI=1S/C2H5ClO3S/c3-7(5,6)2-1-4/h4H,1-2H2
• InChIKey: LRMHQHUZLWXMEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxyethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-hydroxyethanesulfonyl chloride
• Synonyms: 2-hydroxyethane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200086
• PubChem SID: 180669548
• PubChem CID: 13138998

CALCULATED PROPERTIES

• Acid pKa: 14.852765
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.73289007
• LogD (pH = 7.4): -0.73289007
• Log P: -0.73289007
• Molar Refractivity: 26.5193 cm^3
• Polarizability: 11.375479 Å^3
• Polar Surface Area: 54.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.79

Product Information

• Purity: 95%