(3S,4S)-3,4-dichloro-1$l^{6}-thiolane-1,1-dione

• ChemBase ID: 106936
• Molecular Formular: C4H6Cl2O2S
• Molecular Mass: 189.06024
• Monoisotopic Mass: 187.94655579
• SMILES: Cl[C@H]1CS(=O)(=O)C[C@@H]1Cl
• Canonical SMILES: Cl[C@H]1CS(=O)(=O)C[C@@H]1Cl
• InChI: InChI=1S/C4H6Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2/t3-,4-/m0/s1
• InChIKey: JCUQWSIALJCIEE-IMJSIDKUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-3,4-dichloro-1$l^{6}-thiolane-1,1-dione
• IUPAC Traditional name: (3S,4S)-3,4-dichloro-1$l^{6}-thiolane-1,1-dione
• Synonyms: 3,4-DICHLOROTETRAHYDROTHIOPHENE-1,1-DIOXIDE

Database IDs

• CAS Number: 20688-41-9
• PubChem SID: 162093373
• PubChem CID: 1209128

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.28039557
• LogD (pH = 7.4): 0.28039557
• Log P: 0.28039557
• Molar Refractivity: 35.5978 cm^3
• Polarizability: 15.448558 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201954

MP Biomedicals Rare Chemical collection