N-(5-formylthiophen-2-yl)acetamide

• ChemBase ID: 310454
• Molecular Formular: C7H7NO2S
• Molecular Mass: 169.20098
• Monoisotopic Mass: 169.01974947
• SMILES: c1(sc(cc1)C=O)NC(=O)C
• Canonical SMILES: O=Cc1ccc(s1)NC(=O)C
• InChI: InChI=1S/C7H7NO2S/c1-5(10)8-7-3-2-6(4-9)11-7/h2-4H,1H3,(H,8,10)
• InChIKey: RYHPGKJBLSYSCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-formylthiophen-2-yl)acetamide
• IUPAC Traditional name: N-(5-formylthiophen-2-yl)acetamide
• Synonyms: N-(5-formyl-2-thienyl)acetamide

Database IDs

• CAS Number: 31167-35-8
• MDL Number: MFCD01812659

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0023346
• LogD (pH = 7.4): 1.0022328
• Log P: 1.0023359
• Molar Refractivity: 43.5548 cm^3
• Polarizability: 15.85407 Å^3
• Polar Surface Area: 46.17 Å^2