2,4-dibromo-3,5-dimethylthiophene

• ChemBase ID: 53183
• Molecular Formular: C6H6Br2S
• Molecular Mass: 269.98484
• Monoisotopic Mass: 267.85569519
• SMILES: c1(sc(c(c1C)Br)C)Br
• Canonical SMILES: Brc1sc(c(c1C)Br)C
• InChI: InChI=1S/C6H6Br2S/c1-3-5(7)4(2)9-6(3)8/h1-2H3
• InChIKey: RPCAOQRHVBMFNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-3,5-dimethylthiophene
• IUPAC Traditional name: 2,4-dibromo-3,5-dimethylthiophene
• Synonyms: 2,4-Dibromo-3,5-dimethylthiophene

Database IDs

• CAS Number: 63862-00-0
• MDL Number: MFCD11226511
• PubChem SID: 162057946
• PubChem CID: 10588076

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6164713
• LogD (pH = 7.4): 4.6164713
• Log P: 4.6164713
• Molar Refractivity: 47.6668 cm^3
• Polarizability: 18.53508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%