methanedisulfonyl dichloride

• ChemBase ID: 275975
• Molecular Formular: CH2Cl2O4S2
• Molecular Mass: 213.06018
• Monoisotopic Mass: 211.8771559
• SMILES: S(=O)(=O)(CS(=O)(=O)Cl)Cl
• Canonical SMILES: ClS(=O)(=O)CS(=O)(=O)Cl
• InChI: InChI=1S/CH2Cl2O4S2/c2-8(4,5)1-9(3,6)7/h1H2
• InChIKey: DKZQZHQHDMVGHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanedisulfonyl dichloride
• IUPAC Traditional name: methanedisulfonyl dichloride
• Synonyms: methanedisulfonyl dichloride

Database IDs

• MDL Number: MFCD00176854
• PubChem SID: 164331885
• PubChem CID: 79863

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.003968429
• LogD (pH = 7.4): 0.003968429
• Log P: 0.003968429
• Molar Refractivity: 33.7289 cm^3
• Polarizability: 15.277472 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.475

Product Information

• Purity: 95%