2-bromo-3,5-dimethylthiophene

• ChemBase ID: 239565
• Molecular Formular: C6H7BrS
• Molecular Mass: 191.08878
• Monoisotopic Mass: 189.94518322
• SMILES: c1(sc(cc1C)C)Br
• Canonical SMILES: Cc1sc(c(c1)C)Br
• InChI: InChI=1S/C6H7BrS/c1-4-3-5(2)8-6(4)7/h3H,1-2H3
• InChIKey: RKANUDQVJZLGOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,5-dimethylthiophene
• IUPAC Traditional name: 2-bromo-3,5-dimethylthiophene
• Synonyms: 2-bromo-3,5-dimethylthiophene

Database IDs

• MDL Number: MFCD17012744
• PubChem SID: 164295475
• PubChem CID: 15306146

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8477185
• LogD (pH = 7.4): 3.8477185
• Log P: 3.8477185
• Molar Refractivity: 40.044 cm^3
• Polarizability: 15.411818 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.691

Product Information

• Purity: 95%