2-methyloxolane-3-sulfonyl chloride

• ChemBase ID: 243410
• Molecular Formular: C5H9ClO3S
• Molecular Mass: 184.64116
• Monoisotopic Mass: 183.99609283
• SMILES: S(=O)(=O)(C1C(OCC1)C)Cl
• Canonical SMILES: CC1OCCC1S(=O)(=O)Cl
• InChI: InChI=1S/C5H9ClO3S/c1-4-5(2-3-9-4)10(6,7)8/h4-5H,2-3H2,1H3
• InChIKey: QVLPVLSXOXONOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxolane-3-sulfonyl chloride
• IUPAC Traditional name: 2-methyloxolane-3-sulfonyl chloride
• Synonyms: 2-methyloxolane-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD22578666
• PubChem SID: 164299320
• PubChem CID: 71757247

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.42720255
• LogD (pH = 7.4): 0.42720255
• Log P: 0.42720255
• Molar Refractivity: 38.3797 cm^3
• Polarizability: 16.145668 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.7

Product Information

• Purity: 95%