2-(4-ethylphenyl)-4-(4-phenylphenyl)-1,3-thiazole

• ChemBase ID: 298724
• Molecular Formular: C23H19NS
• Molecular Mass: 341.46866
• Monoisotopic Mass: 341.12382061
• SMILES: CCc1ccc(cc1)c1nc(cs1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CCc1ccc(cc1)c1scc(n1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C23H19NS/c1-2-17-8-10-21(11-9-17)23-24-22(16-25-23)20-14-12-19(13-15-20)18-6-4-3-5-7-18/h3-16H,2H2,1H3
• InChIKey: QIBLBDKAPULXBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylphenyl)-4-(4-phenylphenyl)-1,3-thiazole
• IUPAC Traditional name: 2-(4-ethylphenyl)-4-(4-phenylphenyl)-1,3-thiazole
• Synonyms: 4-(4-Biphenylyl)-2-(4-ethylphenyl)thiazole; 4-(4-联苯基)-2-(4-乙基苯基)噻唑

Database IDs

• MDL Number: MFCD20265276
• PubChem SID: 180684255
• PubChem CID: 73995827

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.295044
• LogD (pH = 7.4): 7.2950993
• Log P: 7.2950997
• Molar Refractivity: 115.9106 cm^3
• Polarizability: 44.164917 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 152-157°C

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-P501A

Product Information

• Purity: 97%