2-Bromo-3-butylthiophene

• CAS: 145543-82-4
• Catalog Number: ACM145543824
• Category: Thiophenes
• Molecular Weight: 219.14g/mol
• Molecular Formula: C8H11BrS
• Synonyms: Thiophene,2-Bromo-3-Butyl-; Thiophene, 2-Bromo-3-Butyl-
• IUPAC Name: 2-bromo-3-butylthiophene
• Canonical SMILES: CCCCC1=C(SC=C1)Br
• InChI: InChI=1S/C8H11BrS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3
• InChI Key: KNBLITSBUDZSJW-UHFFFAOYSA-N
• Boiling Point: 59 °C
• Density: 1.36 g/mL at 25 °C(lit.)
• Appearance: Very Pale Yellow - Yellow Clear Liquid
• Complexity: 95.3
• Covalently-Bonded Unit Count: 1
• Exact Mass: 217.97648g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 217.97648g/mol
• Rotatable Bond Count: 3
• XLogP3: 4.5