alpha-((4,6-Diphenyl-2-pyrimidinyl)thio)benzeneacetic acid

Base Information

• Chemical Name: alpha-((4,6-Diphenyl-2-pyrimidinyl)thio)benzeneacetic acid
• CAS No.: 87126-00-9
• Molecular Formula: C₂₄H₁₈N₂O₂S
• Molecular Weight: 398.485
• DSSTox Substance ID: DTXSID001007358
• Mol file: 87126-00-9.mol

Synonyms:BRN 4560717;2-Pyrimidinethioacetic acid, 4,6,beta-triphenyl-;alpha-((4,6-Diphenyl-2-pyrimidinyl)thio)benzeneacetic acid;Benzeneacetic acid, alpha-((4,6-diphenyl-2-pyrimidinyl)thio)-;87126-00-9;DTXSID001007358;LS-28779;[(4,6-Diphenylpyrimidin-2-yl)sulfanyl](phenyl)acetic acid

Chemical Property of alpha-((4,6-Diphenyl-2-pyrimidinyl)thio)benzeneacetic acid

Chemical Property:

• Vapor Pressure: 5.68E-16mmHg at 25°C
• Boiling Point: 614.8°Cat760mmHg
• Flash Point: 325.6°C
• Density: 1.34g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 398.10889899
• Heavy Atom Count: 29
• Complexity: 487

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)SC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4