3,4-dibromo-1$l^{6}-thiolane-1,1-dione

• ChemBase ID: 108383
• Molecular Formular: C4H6Br2O2S
• Molecular Mass: 277.96224
• Monoisotopic Mass: 275.84552443
• SMILES: BrC1CS(=O)(=O)CC1Br
• Canonical SMILES: BrC1CS(=O)(=O)CC1Br
• InChI: InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2
• InChIKey: CGWKQCYAMPDEGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromo-1$l^{6}-thiolane-1,1-dione
• IUPAC Traditional name: 3,4-dibromo-1$l^{6}-thiolane-1,1-dione
• Synonyms: 3,4-DIBROMOSULFOLANE

Database IDs

• CAS Number: 15091-30-2
• PubChem SID: 162094614
• PubChem CID: 85797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6513861
• LogD (pH = 7.4): 0.6513861
• Log P: 0.6513861
• Molar Refractivity: 41.5648 cm^3
• Polarizability: 17.675764 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: XN0470000

DETAILS

MP Biomedicals - 05207168

MP Biomedicals Rare Chemical collection