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

• ChemBase ID: 298613
• Molecular Formular: C17H15NS
• Molecular Mass: 265.3727
• Monoisotopic Mass: 265.09252049
• SMILES: C(C)c1ccc(cc1)c1scc(n1)c1ccccc1
• Canonical SMILES: CCc1ccc(cc1)c1scc(n1)c1ccccc1
• InChI: InChI=1S/C17H15NS/c1-2-13-8-10-15(11-9-13)17-18-16(12-19-17)14-6-4-3-5-7-14/h3-12H,2H2,1H3
• InChIKey: BARQAUIYDHOOED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylphenyl)-4-phenyl-1,3-thiazole
• IUPAC Traditional name: 2-(4-ethylphenyl)-4-phenyl-1,3-thiazole
• Synonyms: 2-(4-Ethylphenyl)-4-phenylthiazole; 2-(4-乙基苯基)-4-苯基噻唑

Database IDs

• MDL Number: MFCD20265226
• PubChem SID: 180684144
• PubChem CID: 73995735

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6478186
• LogD (pH = 7.4): 5.647874
• Log P: 5.6478744
• Molar Refractivity: 90.7744 cm^3
• Polarizability: 33.062027 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• 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%