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

• ChemBase ID: 112022
• Molecular Formular: C5H10O3S
• Molecular Mass: 150.1961
• Monoisotopic Mass: 150.03506518
• SMILES: COC1CCS(=O)(=O)C1
• Canonical SMILES: COC1CCS(=O)(=O)C1
• InChI: InChI=1S/C5H10O3S/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3
• InChIKey: FUGUKLMWKCDKJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1$l^{6}-thiolane-1,1-dione; 3-methoxy-1λ^6-thiolane-1,1-dione
• IUPAC Traditional name: 3-methoxy-1$l^{6}-thiolane-1,1-dione; 3-methoxy-1λ^6-thiolane-1,1-dione
• Synonyms: 3-METHOXYSULFOLANE; Tetrahydro-3-methoxythiophene 1,1-Dioxide; 3-Methoxytetrahydrothiophene 1,1-Dioxide; 3-Methoxythiolane 1,1-Dioxide; NSC 147303

Database IDs

• CAS Number: 20627-66-1
• PubChem SID: 162097352
• PubChem CID: 287365

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.095367
• LogD (pH = 7.4): -1.095367
• Log P: -1.095367
• Molar Refractivity: 33.5635 cm^3
• Polarizability: 14.165812 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222234

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - M264375

3-Methoxysulfolane is a sulfolane derivatives used in the dyeing and printing of textile mateials.