2-bromo-5-phenylthiophene

• ChemBase ID: 80574
• Molecular Formular: C10H7BrS
• Molecular Mass: 239.13158
• Monoisotopic Mass: 237.94518322
• SMILES: s1c(ccc1Br)c1ccccc1
• Canonical SMILES: Brc1ccc(s1)c1ccccc1
• InChI: InChI=1S/C10H7BrS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: RVCTZBRMQZWVDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-phenylthiophene
• IUPAC Traditional name: 2-bromo-5-phenylthiophene
• Synonyms: 2-Bromo-5-phenylthiophene

Database IDs

• CAS Number: 29488-24-2
• MDL Number: MFCD00159575
• PubChem SID: 162067694
• PubChem CID: 2776313

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.332368
• LogD (pH = 7.4): 4.332368
• Log P: 4.332368
• Molar Refractivity: 54.8668 cm^3
• Polarizability: 22.644384 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84-85°C

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 97%