N-(thiophen-2-yl)acetamide

• ChemBase ID: 276508
• Molecular Formular: C6H7NOS
• Molecular Mass: 141.19088
• Monoisotopic Mass: 141.02483485
• SMILES: c1(NC(=O)C)sccc1
• Canonical SMILES: CC(=O)Nc1cccs1
• InChI: InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)
• InChIKey: FSATURPVOMZWBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-2-yl)acetamide
• IUPAC Traditional name: 2-acetamidothiophene
• Synonyms: N-(thiophen-2-yl)acetamide; 2-(Acetamido)thiophene

Database IDs

• CAS Number: 13053-81-1
• MDL Number: MFCD00090379
• PubChem SID: 164332418
• PubChem CID: 83087

CALCULATED PROPERTIES

• Acid pKa: 11.207219
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1573933
• LogD (pH = 7.4): 1.1573298
• Log P: 1.157394
• Molar Refractivity: 37.1867 cm^3
• Polarizability: 13.896115 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 0.991

Product Information

• Purity: 95%; 95+%; 97%