5-cyclopropyl-5-(thiophen-2-yl)imidazolidine-2,4-dione

• ChemBase ID: 238965
• Molecular Formular: C10H10N2O2S
• Molecular Mass: 222.2636
• Monoisotopic Mass: 222.04629857
• SMILES: C1(C(=O)NC(=O)N1)(C1CC1)c1sccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(C1CC1)c1cccs1
• InChI: InChI=1S/C10H10N2O2S/c13-8-10(6-3-4-6,12-9(14)11-8)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H2,11,12,13,14)
• InChIKey: BMPPZSKGEUNDQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-cyclopropyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
• Synonyms: 5-cyclopropyl-5-(thiophen-2-yl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD16040227
• PubChem SID: 164294875
• PubChem CID: 61563462

CALCULATED PROPERTIES

• Acid pKa: 9.761256
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.255602
• LogD (pH = 7.4): 1.2537609
• Log P: 1.2556255
• Molar Refractivity: 54.2006 cm^3
• Polarizability: 21.076042 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 1.046

Product Information

• Purity: 95%