4-Bromo-2-methylthiophene

• CAS: 29421-92-9
• Catalog Number: ACM29421929
• Category: Thiophenes
• Molecular Weight: 177.06g/mol
• Molecular Formula: C5H5BrS
• Synonyms: Thiophene, 4-Bromo-2-Methyl-; 3-BROMO-5-METHYLTHIOPHENE
• IUPAC Name: 4-bromo-2-methylthiophene
• Canonical SMILES: CC1=CC(=CS1)Br
• InChI: InChI=1S/C5H5BrS/c1-4-2-5(6)3-7-4/h2-3H,1H3
• InChI Key: ABMUSXPGSSMPLK-UHFFFAOYSA-N
• Boiling Point: 74-76 °C
• Flash Point: 68 °C
• Density: 1.581 g/mL at 25 °C(lit.)
• Appearance: Colourless Liquid
• Complexity: 65.1
• Covalently-Bonded Unit Count: 1
• Exact Mass: 175.92953g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 7
• Monoisotopic Mass: 175.92953g/mol
• Rotatable Bond Count: 0
• XLogP3: 2.7