2-[4-(4-methylphenyl)phenyl]-4-(4-phenylphenyl)-1,3-thiazole

• ChemBase ID: 298922
• Molecular Formular: C28H21NS
• Molecular Mass: 403.53804
• Monoisotopic Mass: 403.13947068
• SMILES: Cc1ccc(cc1)c1ccc(cc1)c1nc(cs1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)c1ccc(cc1)c1scc(n1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C28H21NS/c1-20-7-9-22(10-8-20)24-13-17-26(18-14-24)28-29-27(19-30-28)25-15-11-23(12-16-25)21-5-3-2-4-6-21/h2-19H,1H3
• InChIKey: GTLFIPATVBZEAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-methylphenyl)phenyl]-4-(4-phenylphenyl)-1,3-thiazole
• IUPAC Traditional name: 2-[4-(4-methylphenyl)phenyl]-4-(4-phenylphenyl)-1,3-thiazole
• Synonyms: 4-(4-Biphenylyl)-2-(4'-methyl-4-biphenylyl)thiazole; 4-(4-联苯基)-2-(4-甲基-4-联苯基)噻唑

Database IDs

• MDL Number: MFCD20265355
• PubChem SID: 180684453
• PubChem CID: 73995990

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.4977045
• LogD (pH = 7.4): 8.497756
• Log P: 8.497757
• Molar Refractivity: 136.4458 cm^3
• Polarizability: 53.446102 Å^3
• Polar Surface Area: 12.89 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
• 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%