2-hydroxypropane-1-sulfonyl chloride

• ChemBase ID: 245745
• Molecular Formular: C3H7ClO3S
• Molecular Mass: 158.60388
• Monoisotopic Mass: 157.98044276
• SMILES: S(=O)(=O)(CC(O)C)Cl
• Canonical SMILES: CC(CS(=O)(=O)Cl)O
• InChI: InChI=1S/C3H7ClO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3
• InChIKey: XLETZVSHHPTZBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropane-1-sulfonyl chloride
• IUPAC Traditional name: 2-hydroxypropane-1-sulfonyl chloride
• Synonyms: 2-hydroxypropane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD23144138
• PubChem SID: 164301655
• PubChem CID: 3019706

CALCULATED PROPERTIES

• Acid pKa: 14.670441
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31631503
• LogD (pH = 7.4): -0.31631505
• Log P: -0.31631503
• Molar Refractivity: 30.9381 cm^3
• Polarizability: 13.166089 Å^3
• Polar Surface Area: 54.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.481

Product Information

• Purity: 95%