2-bromo-4-(4-bromo-2-methylphenyl)-1,3-thiazole

• ChemBase ID: 807449
• Molecular Formular: C10H7Br2NS
• Molecular Mass: 333.04228
• Monoisotopic Mass: 330.86659423
• SMILES: s1c(nc(c1)c1c(cc(cc1)Br)C)Br
• Canonical SMILES: Brc1ccc(c(c1)C)c1csc(n1)Br
• InChI: InChI=1S/C10H7Br2NS/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-5H,1H3
• InChIKey: CZGGJQLWCHQLSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-(4-bromo-2-methylphenyl)-1,3-thiazole
• IUPAC Traditional name: 2-bromo-4-(4-bromo-2-methylphenyl)-1,3-thiazole
• Synonyms: 2-BROMO-4-(4-BROMO-2-METHYL-PHENYL)-THIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0113544
• LogD (pH = 7.4): 5.0113554
• Log P: 5.0113554
• Molar Refractivity: 66.3194 cm^3
• Polarizability: 26.55792 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%