5-bromo-N-cyclopropylthiophene-2-carboxamide

• ChemBase ID: 312653
• Molecular Formular: C8H8BrNOS
• Molecular Mass: 246.12422
• Monoisotopic Mass: 244.95099688
• SMILES: c1(sc(cc1)Br)C(=O)NC1CC1
• Canonical SMILES: O=C(c1ccc(s1)Br)NC1CC1
• InChI: InChI=1S/C8H8BrNOS/c9-7-4-3-6(12-7)8(11)10-5-1-2-5/h3-5H,1-2H2,(H,10,11)
• InChIKey: CKUIKZGELFOICR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-cyclopropylthiophene-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-cyclopropylthiophene-2-carboxamide
• Synonyms: 5-bromo-N-cyclopropyl-2-thiophenecarboxamide

Database IDs

• CAS Number: 495382-05-3
• MDL Number: MFCD03071662

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3607566
• LogD (pH = 7.4): 2.3607564
• Log P: 2.3607566
• Molar Refractivity: 50.9169 cm^3
• Polarizability: 19.652819 Å^3
• Polar Surface Area: 29.1 Å^2