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

• ChemBase ID: 299010
• Molecular Formular: C27H19NS
• Molecular Mass: 389.51146
• Monoisotopic Mass: 389.12382061
• SMILES: c1ccc(cc1)c1ccc(cc1)c1csc(n1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1scc(n1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H19NS/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-29-27(28-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
• InChIKey: IMNAPUBGAISUSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-bis(4-phenylphenyl)-1,3-thiazole
• IUPAC Traditional name: 2,4-bis(4-phenylphenyl)-1,3-thiazole
• Synonyms: 2,4-Bis(4-biphenylyl)thiazole; 2,4-双(4-联苯基)噻唑

Database IDs

• MDL Number: MFCD20265389
• PubChem SID: 180684541
• PubChem CID: 73996065

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.9842834
• LogD (pH = 7.4): 7.9843345
• Log P: 7.9843354
• Molar Refractivity: 131.4046 cm^3
• Polarizability: 51.689983 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%