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

• ChemBase ID: 249724
• Molecular Formular: C11H8N2O2S2
• Molecular Mass: 264.32342
• Monoisotopic Mass: 264.00271951
• SMILES: C1(C(=O)NC(=O)N1)(c1sccc1)c1sccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(c1cccs1)c1cccs1
• InChI: InChI=1S/C11H8N2O2S2/c14-9-11(13-10(15)12-9,7-3-1-5-16-7)8-4-2-6-17-8/h1-6H,(H2,12,13,14,15)
• InChIKey: AEBDYALCYLNGHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 62032-07-9
• MDL Number: MFCD07324816
• PubChem SID: 164305634
• PubChem CID: 308057

CALCULATED PROPERTIES

• Acid pKa: 9.358893
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9736238
• LogD (pH = 7.4): 1.9689895
• Log P: 1.9736831
• Molar Refractivity: 63.9621 cm^3
• Polarizability: 24.549671 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 1.377

Product Information

• Purity: 95%