alpha-((4-Methyl-6-phenyl-2-pyrimidinyl)thio)benzeneacetic acid

Base Information

• Chemical Name: alpha-((4-Methyl-6-phenyl-2-pyrimidinyl)thio)benzeneacetic acid
• CAS No.: 77517-15-8
• Molecular Formula: C₁₉H₁₆N₂O₂S
• Molecular Weight: 336.414
• DSSTox Substance ID: DTXSID40998715
• ChEMBL ID: CHEMBL1413748

Synonyms:BRN 4528757;77517-15-8;2-Pyrimidinethioacetic acid, 6,beta-diphenyl-4-methyl-;alpha-((4-Methyl-6-phenyl-2-pyrimidinyl)thio)benzeneacetic acid;Benzeneacetic acid, alpha-((4-methyl-6-phenyl-2-pyrimidinyl)thio)-;[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl](phenyl)acetic acid;2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]-2-phenylacetic acid;Oprea1_156930;MLS000776597;CHEMBL1413748;DTXSID40998715;HMS2683E03;STK415763;AKOS002336515;NCGC00245979-01;LS-28951;SMR000371834

Chemical Property of alpha-((4-Methyl-6-phenyl-2-pyrimidinyl)thio)benzeneacetic acid

Chemical Property:

• Vapor Pressure: 2.96E-12mmHg at 25°C
• Boiling Point: 534.5°C at 760 mmHg
• Flash Point: 277.1°C
• Density: 1.33g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 336.09324893
• Heavy Atom Count: 24
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3

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