2-(oxolan-2-yl)ethane-1-sulfonyl chloride

• ChemBase ID: 237347
• Molecular Formular: C6H11ClO3S
• Molecular Mass: 198.66774
• Monoisotopic Mass: 198.01174289
• SMILES: S(=O)(=O)(CCC1OCCC1)Cl
• Canonical SMILES: ClS(=O)(=O)CCC1CCCO1
• InChI: InChI=1S/C6H11ClO3S/c7-11(8,9)5-3-6-2-1-4-10-6/h6H,1-5H2
• InChIKey: YEMFJZHPUGHKJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-yl)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(oxolan-2-yl)ethanesulfonyl chloride
• Synonyms: 2-(oxolan-2-yl)ethane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD21128810
• PubChem SID: 164293257
• PubChem CID: 65158435

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.43576074
• LogD (pH = 7.4): 0.43576074
• Log P: 0.43576074
• Molar Refractivity: 43.3471 cm^3
• Polarizability: 17.95572 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.388

Product Information

• Purity: 95%