3-bromo-4-(bromomethyl)thiophene

• ChemBase ID: 77634
• Molecular Formular: C5H4Br2S
• Molecular Mass: 255.95826
• Monoisotopic Mass: 253.84004513
• SMILES: s1cc(c(c1)Br)CBr
• Canonical SMILES: BrCc1cscc1Br
• InChI: InChI=1S/C5H4Br2S/c6-1-4-2-8-3-5(4)7/h2-3H,1H2
• InChIKey: PYHREWOWCJSFSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-(bromomethyl)thiophene
• IUPAC Traditional name: 3-bromo-4-(bromomethyl)thiophene
• Synonyms: 3-Bromo-4-(bromomethyl)thiophene 95%; 3-bromo-4-(bromomethyl)thiophene

Database IDs

• CAS Number: 40032-80-2
• MDL Number: MFCD09817482
• PubChem SID: 162042506
• PubChem CID: 13354759

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2951777
• LogD (pH = 7.4): 3.2951777
• Log P: 3.2951777
• Molar Refractivity: 43.637 cm^3
• Polarizability: 16.790804 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Toxic

Product Information

• Purity: 95%