4-(4-bromophenyl)-2-{3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl}-1,3-thiazole

• ChemBase ID: 300173
• Molecular Formular: C24H14Br2N2S2
• Molecular Mass: 554.31936
• Monoisotopic Mass: 551.89651446
• SMILES: c1cc(cc(c1)c1nc(cs1)c1ccc(cc1)Br)c1nc(cs1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1csc(n1)c1cccc(c1)c1scc(n1)c1ccc(cc1)Br
• InChI: InChI=1S/C24H14Br2N2S2/c25-19-8-4-15(5-9-19)21-13-29-23(27-21)17-2-1-3-18(12-17)24-28-22(14-30-24)16-6-10-20(26)11-7-16/h1-14H
• InChIKey: LQQCZLVNNCFDBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromophenyl)-2-{3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl}-1,3-thiazole
• IUPAC Traditional name: 4-(4-bromophenyl)-2-{3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl}-1,3-thiazole
• Synonyms: 1,3-Bis[4-(4-bromophenyl)-2-thiazolyl]benzene

Database IDs

• MDL Number: MFCD22682996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.943931
• LogD (pH = 7.4): 8.944027
• Log P: 8.944029
• Molar Refractivity: 151.452 cm^3
• Polarizability: 53.649605 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%