2,3-dichloro-1$l^{6}-thiolane-1,1-dione

• ChemBase ID: 110699
• Molecular Formular: C4H6Cl2O2S
• Molecular Mass: 189.06024
• Monoisotopic Mass: 187.94655579
• SMILES: ClC1CCS(=O)(=O)C1Cl
• Canonical SMILES: ClC1CCS(=O)(=O)C1Cl
• InChI: InChI=1S/C4H6Cl2O2S/c5-3-1-2-9(7,8)4(3)6/h3-4H,1-2H2
• InChIKey: JSKODJXQVLISPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-1$l^{6}-thiolane-1,1-dione
• IUPAC Traditional name: 2,3-dichloro-1$l^{6}-thiolane-1,1-dione
• Synonyms: 2,3-DICHLOROSULFOLANE

Database IDs

• CAS Number: 51275-92-4
• PubChem SID: 162096954
• PubChem CID: 142835

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.68195057
• LogD (pH = 7.4): 0.68195057
• Log P: 0.68195057
• Molar Refractivity: 36.2852 cm^3
• Polarizability: 15.45339 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215963

MP Biomedicals Rare Chemical collection