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

• ChemBase ID: 261557
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: c1(c2sccc2)ncc[nH]1
• Canonical SMILES: c1csc(c1)c1ncc[nH]1
• InChI: InChI=1S/C7H6N2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-5H,(H,8,9)
• InChIKey: UZLSJAUHCCPJMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02677596
• PubChem SID: 164317467
• PubChem CID: 4291023

CALCULATED PROPERTIES

• Acid pKa: 11.864213
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3178033
• LogD (pH = 7.4): 1.6494977
• Log P: 1.656694
• Molar Refractivity: 51.0043 cm^3
• Polarizability: 16.071278 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 1.975

Product Information

• Purity: 95%