2-oxo-1,3-oxazolidine-3-sulfonyl chloride

• ChemBase ID: 256141
• Molecular Formular: C3H4ClNO4S
• Molecular Mass: 185.58616
• Monoisotopic Mass: 184.95495629
• SMILES: N1(S(=O)(=O)Cl)C(=O)OCC1
• Canonical SMILES: O=C1OCCN1S(=O)(=O)Cl
• InChI: InChI=1S/C3H4ClNO4S/c4-10(7,8)5-1-2-9-3(5)6/h1-2H2
• InChIKey: WMZYIKJSQHNJNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-1,3-oxazolidine-3-sulfonyl chloride
• IUPAC Traditional name: 2-oxo-1,3-oxazolidine-3-sulfonyl chloride
• Synonyms: 2-oxo-1,3-oxazolidine-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD10686775
• PubChem SID: 164312051
• PubChem CID: 11286883

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.009018905
• LogD (pH = 7.4): 0.009018905
• Log P: 0.009018905
• Molar Refractivity: 32.9951 cm^3
• Polarizability: 13.938206 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): -0.717

Product Information

• Purity: 95%