2,4-dibromo-5-methyl-1,3-thiazole

• ChemBase ID: 292406
• Molecular Formular: C4H3Br2NS
• Molecular Mass: 256.94632
• Monoisotopic Mass: 254.8352941
• SMILES: Cc1c(Br)nc(Br)s1
• Canonical SMILES: Brc1sc(c(n1)Br)C
• InChI: InChI=1S/C4H3Br2NS/c1-2-3(5)7-4(6)8-2/h1H3
• InChIKey: HJUNCDFVUMUFOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-5-methyl-1,3-thiazole
• IUPAC Traditional name: 2,4-dibromo-5-methyl-1,3-thiazole
• Synonyms: 2,4-Dibromo-5-methylthiazole

Database IDs

• CAS Number: 1206708-88-4
• PubChem SID: 180677937
• PubChem CID: 67212571

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3162408
• LogD (pH = 7.4): 3.3162413
• Log P: 3.3162413
• Molar Refractivity: 42.4125 cm^3
• Polarizability: 16.223753 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%