alpha-((4-Phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)benzeneacetic acid

Base Information

• Chemical Name: alpha-((4-Phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)benzeneacetic acid
• CAS No.: 107072-32-2
• Molecular Formula: C19H13 F3 N2 O2 S
• Molecular Weight: 390.3789
• DSSTox Substance ID: DTXSID40910230
• Mol file: 107072-32-2.mol

Synonyms:107072-32-2;2-Pyrimidinethioacetic acid, beta,4-diphenyl-6-(trifluoromethyl)-;alpha-((4-Phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)benzeneacetic acid;Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-;2-phenyl-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid;phenyl{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetic acid;C14H11F3N2O2S;DTXSID40910230;STK409554;AKOS002325094;AKOS016332691;C14-H11-F3-N2-O2-S;NCGC00324330-01;LS-29012;AB01318549-02

Chemical Property of alpha-((4-Phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)benzeneacetic acid

Chemical Property:

• Vapor Pressure: 3.18E-12mmHg at 25°C
• Boiling Point: 533.8°C at 760 mmHg
• Flash Point: 276.6°C
• Density: 1.45g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 390.06498332
• Heavy Atom Count: 27
• Complexity: 494

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)C(F)(F)F