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

• ChemBase ID: 287367
• Molecular Formular: C6H6BrNOS
• Molecular Mass: 220.08694
• Monoisotopic Mass: 218.93534682
• SMILES: CC(=O)Nc1ccc(Br)s1
• Canonical SMILES: CC(=O)Nc1ccc(s1)Br
• InChI: InChI=1S/C6H6BrNOS/c1-4(9)8-6-3-2-5(7)10-6/h2-3H,1H3,(H,8,9)
• InChIKey: SVIZHRDMDNJNMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-bromothiophen-2-yl)acetamide
• IUPAC Traditional name: N-(5-bromothiophen-2-yl)acetamide
• Synonyms: N-(5-Bromothiophen-2-yl)acetamide

Database IDs

• CAS Number: 68236-26-0
• MDL Number: MFCD01859880
• PubChem SID: 180672898
• PubChem CID: 4144312

CALCULATED PROPERTIES

• Acid pKa: 11.10741
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0921416
• LogD (pH = 7.4): 2.0920618
• Log P: 2.0921428
• Molar Refractivity: 43.9694 cm^3
• Polarizability: 16.922594 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%