4-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine

• ChemBase ID: 298564
• Molecular Formular: C20H14N2S
• Molecular Mass: 314.40356
• Monoisotopic Mass: 314.08776946
• SMILES: c1ccc(cc1)c1ccc(cc1)c1csc(n1)c1ccncc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1csc(n1)c1ccncc1
• InChI: InChI=1S/C20H14N2S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-23-20(22-19)18-10-12-21-13-11-18/h1-14H
• InChIKey: RHBPLWUAMDJCTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine
• IUPAC Traditional name: 4-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine
• Synonyms: 4-(4-Biphenylyl)-2-(4-pyridyl)thiazole; 4-(4-联苯基)-2-(4-吡啶基)噻唑

Database IDs

• MDL Number: MFCD12937797
• PubChem SID: 180684095
• PubChem CID: 2824151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1163545
• LogD (pH = 7.4): 5.1193986
• Log P: 5.1194377
• Molar Refractivity: 104.1115 cm^3
• Polarizability: 39.58909 Å^3
• Polar Surface Area: 25.78 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%