oxolan-3-ylmethanesulfonyl chloride

• ChemBase ID: 270695
• Molecular Formular: C5H9ClO3S
• Molecular Mass: 184.64116
• Monoisotopic Mass: 183.99609283
• SMILES: S(=O)(=O)(CC1COCC1)Cl
• Canonical SMILES: ClS(=O)(=O)CC1COCC1
• InChI: InChI=1S/C5H9ClO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2
• InChIKey: AYWFXFIKZGWGBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-3-ylmethanesulfonyl chloride
• IUPAC Traditional name: oxolan-3-ylmethanesulfonyl chloride
• Synonyms: oxolan-3-ylmethanesulfonyl chloride

Database IDs

• MDL Number: MFCD14690839
• PubChem SID: 164326605
• PubChem CID: 23000703

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.024013132
• LogD (pH = 7.4): -0.024013132
• Log P: -0.024013132
• Molar Refractivity: 38.8207 cm^3
• Polarizability: 16.145298 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.511

Product Information

• Purity: 95%