cyclobutylmethanesulfonyl chloride

• ChemBase ID: 243151
• Molecular Formular: C5H9ClO2S
• Molecular Mass: 168.64176
• Monoisotopic Mass: 168.00117821
• SMILES: S(=O)(=O)(CC1CCC1)Cl
• Canonical SMILES: ClS(=O)(=O)CC1CCC1
• InChI: InChI=1S/C5H9ClO2S/c6-9(7,8)4-5-2-1-3-5/h5H,1-4H2
• InChIKey: PWKSOBWFPCITKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutylmethanesulfonyl chloride
• IUPAC Traditional name: cyclobutylmethanesulfonyl chloride
• Synonyms: cyclobutylmethanesulfonyl chloride

Database IDs

• CAS Number: 1220695-06-6
• MDL Number: MFCD16036603
• PubChem SID: 164299061
• PubChem CID: 55280140

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1823579
• LogD (pH = 7.4): 1.1823579
• Log P: 1.1823579
• Molar Refractivity: 36.77 cm^3
• Polarizability: 15.38021 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.199

Product Information

• Purity: 95%; 95+%