[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride

• ChemBase ID: 276035
• Molecular Formular: C4H5ClN2O4S
• Molecular Mass: 212.6115
• Monoisotopic Mass: 211.96585533
• SMILES: N1C(=O)N[C@H](C1=O)CS(=O)(=O)Cl
• Canonical SMILES: O=C1NC(=O)[C@@H](N1)CS(=O)(=O)Cl
• InChI: InChI=1S/C4H5ClN2O4S/c5-12(10,11)1-2-3(8)7-4(9)6-2/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1
• InChIKey: QRPMKCBTJIZVKF-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
• IUPAC Traditional name: [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
• Synonyms: [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride

Database IDs

• MDL Number: MFCD19200314
• PubChem SID: 164331945
• PubChem CID: 54593981

CALCULATED PROPERTIES

• Acid pKa: 9.108846
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4526829
• LogD (pH = 7.4): -1.460889
• Log P: -1.4525771
• Molar Refractivity: 39.0494 cm^3
• Polarizability: 16.309637 Å^3
• Polar Surface Area: 92.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.723

Product Information

• Purity: 95%