oxan-2-ylmethanesulfonyl chloride

• ChemBase ID: 267210
• Molecular Formular: C6H11ClO3S
• Molecular Mass: 198.66774
• Monoisotopic Mass: 198.01174289
• SMILES: S(=O)(=O)(CC1OCCCC1)Cl
• Canonical SMILES: ClS(=O)(=O)CC1CCCCO1
• InChI: InChI=1S/C6H11ClO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2
• InChIKey: SMEXTXISKUYKPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxan-2-ylmethanesulfonyl chloride
• IUPAC Traditional name: oxan-2-ylmethanesulfonyl chloride
• Synonyms: oxan-2-ylmethanesulfonyl chloride

Database IDs

• MDL Number: MFCD12783406
• PubChem SID: 164323120
• PubChem CID: 21224521

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.82036966
• LogD (pH = 7.4): 0.82036966
• Log P: 0.82036966
• Molar Refractivity: 43.0827 cm^3
• Polarizability: 17.955885 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.171

Product Information

• Purity: 95%