2,3,5-tribromo-4-methylthiophene

• ChemBase ID: 293255
• Molecular Formular: C5H3Br3S
• Molecular Mass: 334.85432
• Monoisotopic Mass: 331.7505571
• SMILES: Cc1c(Br)sc(Br)c1Br
• Canonical SMILES: Brc1sc(c(c1Br)C)Br
• InChI: InChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
• InChIKey: DTLNXOZXOZCNMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-tribromo-4-methylthiophene
• IUPAC Traditional name: 2,3,5-tribromo-4-methylthiophene
• Synonyms: 2,3,5-Tribromo-4-methylthiophene

Database IDs

• CAS Number: 67869-13-0
• MDL Number: MFCD00130086
• PubChem SID: 180678786
• PubChem CID: 3017801

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.905359
• LogD (pH = 7.4): 4.905359
• Log P: 4.905359
• Molar Refractivity: 49.3932 cm^3
• Polarizability: 20.104202 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%