3-bromo-2,5-dimethylthiophene

• ChemBase ID: 238337
• Molecular Formular: C6H7BrS
• Molecular Mass: 191.08878
• Monoisotopic Mass: 189.94518322
• SMILES: s1c(c(cc1C)Br)C
• Canonical SMILES: Cc1sc(c(c1)Br)C
• InChI: InChI=1S/C6H7BrS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
• InChIKey: UODXWHPNUCOZEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18451735
• PubChem SID: 164294247
• PubChem CID: 638585

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.814162
• LogD (pH = 7.4): 3.814162
• Log P: 3.814162
• Molar Refractivity: 40.8992 cm^3
• Polarizability: 15.3838215 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%