bromomethanesulfonyl bromide

• ChemBase ID: 246116
• Molecular Formular: CH2Br2O2S
• Molecular Mass: 237.89838
• Monoisotopic Mass: 235.8142243
• SMILES: S(=O)(=O)(CBr)Br
• Canonical SMILES: BrCS(=O)(=O)Br
• InChI: InChI=1S/CH2Br2O2S/c2-1-6(3,4)5/h1H2
• InChIKey: ZUQDPSRFJGYOPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromomethanesulfonyl bromide
• IUPAC Traditional name: bromomethanesulfonyl bromide
• Synonyms: bromomethanesulfonyl bromide

Database IDs

• MDL Number: MFCD12032135
• PubChem SID: 164302026
• PubChem CID: 10977482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.91394085
• LogD (pH = 7.4): 0.91394085
• Log P: 0.91394085
• Molar Refractivity: 30.3966 cm^3
• Polarizability: 13.21406 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.08

Product Information

• Purity: 95%