oxolane-3-sulfonyl chloride

• ChemBase ID: 101539
• Molecular Formular: C4H7ClO3S
• Molecular Mass: 170.61458
• Monoisotopic Mass: 169.98044276
• SMILES: S(=O)(=O)(C1CCOC1)Cl
• Canonical SMILES: ClS(=O)(=O)C1COCC1
• InChI: InChI=1S/C4H7ClO3S/c5-9(6,7)4-1-2-8-3-4/h4H,1-3H2
• InChIKey: MVZIUOJNVVIOEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-3-sulfonyl chloride
• IUPAC Traditional name: oxolane-3-sulfonyl chloride
• Synonyms: tetrahydrofuran-3-sulfonyl chloride; oxolane-3-sulfonyl chloride

Database IDs

• CAS Number: 1207346-29-9
• MDL Number: MFCD16090164
• PubChem SID: 162089157
• PubChem CID: 49762850

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.010627535
• LogD (pH = 7.4): 0.010627535
• Log P: 0.010627535
• Molar Refractivity: 33.9609 cm^3
• Polarizability: 14.341859 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.219

Product Information

• Purity: 95%; 97%