5-bromo-N-methylthiophene-2-carboxamide

• ChemBase ID: 312541
• Molecular Formular: C6H6BrNOS
• Molecular Mass: 220.08694
• Monoisotopic Mass: 218.93534682
• SMILES: c1(sc(cc1)Br)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc(s1)Br
• InChI: InChI=1S/C6H6BrNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)
• InChIKey: AACIFRQMXAAYAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-methylthiophene-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-methylthiophene-2-carboxamide
• Synonyms: 5-bromo-N-methyl-2-thiophenecarboxamide

Database IDs

• CAS Number: 98453-26-0
• MDL Number: MFCD08691957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8951921
• LogD (pH = 7.4): 1.8951918
• Log P: 1.8951921
• Molar Refractivity: 43.7057 cm^3
• Polarizability: 16.751104 Å^3
• Polar Surface Area: 29.1 Å^2