2-(thiophen-3-yl)acetamide

• ChemBase ID: 270057
• Molecular Formular: C6H7NOS
• Molecular Mass: 141.19088
• Monoisotopic Mass: 141.02483485
• SMILES: s1cc(cc1)CC(=O)N
• Canonical SMILES: NC(=O)Cc1cscc1
• InChI: InChI=1S/C6H7NOS/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H2,7,8)
• InChIKey: ZZMOZLUSTUEYAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: 2-(thiophen-3-yl)acetamide
• Synonyms: 2-(thiophen-3-yl)acetamide

Database IDs

• MDL Number: MFCD00661538
• PubChem SID: 164325967
• PubChem CID: 566335

CALCULATED PROPERTIES

• Acid pKa: 16.00113
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.58449346
• LogD (pH = 7.4): 0.58449346
• Log P: 0.58449346
• Molar Refractivity: 36.2936 cm^3
• Polarizability: 13.896197 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.1

Product Information

• Purity: 95%