ethane-1,2-disulfonyl dichloride

• ChemBase ID: 123323
• Molecular Formular: C2H4Cl2O4S2
• Molecular Mass: 227.08676
• Monoisotopic Mass: 225.89280597
• SMILES: S(=O)(=O)(CCS(=O)(=O)Cl)Cl
• Canonical SMILES: ClS(=O)(=O)CCS(=O)(=O)Cl
• InChI: InChI=1S/C2H4Cl2O4S2/c3-9(5,6)1-2-10(4,7)8/h1-2H2
• InChIKey: VRHMNTYGRQBMGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane-1,2-disulfonyl dichloride
• IUPAC Traditional name: ethane-1,2-disulfonyl dichloride
• Synonyms: ethane-1,2-disulfonyl dichloride

Database IDs

• PubChem SID: 162217676
• PubChem CID: 12322398

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.25710103
• LogD (pH = 7.4): -0.25710103
• Log P: -0.25710103
• Molar Refractivity: 38.485 cm^3
• Polarizability: 17.046526 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true