(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride

• ChemBase ID: 275986
• Molecular Formular: C5H7ClN2O4S
• Molecular Mass: 226.63808
• Monoisotopic Mass: 225.98150539
• SMILES: C1(C(=O)NC(=O)N1)(CS(=O)(=O)Cl)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)CS(=O)(=O)Cl
• InChI: InChI=1S/C5H7ClN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10)
• InChIKey: GXBXYLVXNQXXNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19200496
• PubChem SID: 164331896
• PubChem CID: 23133494

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.0262206
• Log P: -1.0198113
• Molar Refractivity: 43.7627 cm^3
• Polarizability: 18.0938 Å^3
• Polar Surface Area: 92.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 9.22271
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0198926

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.204

Product Information

• Purity: 95%