4-(thiophen-2-yl)-1H-imidazole

• ChemBase ID: 308915
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: c1(nc[nH]c1)c1sccc1
• Canonical SMILES: c1csc(c1)c1c[nH]cn1
• InChI: InChI=1S/C7H6N2S/c1-2-7(10-3-1)6-4-8-5-9-6/h1-5H,(H,8,9)
• InChIKey: OQEOPQIPVXGRAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophen-2-yl)-1H-imidazole
• IUPAC Traditional name: 4-(thiophen-2-yl)-1H-imidazole
• Synonyms: 4-(2-thienyl)-1H-imidazole

Database IDs

• CAS Number: 156647-28-8
• MDL Number: MFCD12827502

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.335871
• LogD (pH = 7.4): 1.6581051
• Log P: 1.6649995
• Molar Refractivity: 40.6669 cm^3
• Polarizability: 16.760193 Å^3
• Polar Surface Area: 28.68 Å^2