2-(bromomethyl)thiophene

• ChemBase ID: 294911
• Molecular Formular: C5H5BrS
• Molecular Mass: 177.0622
• Monoisotopic Mass: 175.92953316
• SMILES: BrCc1cccs1
• Canonical SMILES: BrCc1cccs1
• InChI: InChI=1S/C5H5BrS/c6-4-5-2-1-3-7-5/h1-3H,4H2
• InChIKey: QZOBOLDDGXPTBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)thiophene
• IUPAC Traditional name: 2-(bromomethyl)thiophene
• Synonyms: 2-(Bromomethyl)thiophene

Database IDs

• CAS Number: 45438-73-1
• MDL Number: MFCD08669495
• PubChem SID: 180680442
• PubChem CID: 11829978

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6588645
• LogD (pH = 7.4): 2.6588645
• Log P: 2.6588645
• Molar Refractivity: 35.7983 cm^3
• Polarizability: 13.636401 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%