{[4-(4-Methoxyphenyl)-6-methyl-2-pyrimidinyl]sulfanyl}(phenyl)acetic acid
[CAS# 87125-99-3]

Identification

• Name: {[4-(4-Methoxyphenyl)-6-methyl-2-pyrimidinyl]sulfanyl}(phenyl)acetic acid
• Synonyms: {[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio}(phenyl)acetic acid; 2-Pyrimidinethioacetic acid, 4-(4-methoxyphenyl)-6-methyl-β-phenyl; Benzeneacetic acid, α-((4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl)thio)-
• Molecular Formula: C₂₀H₁₈N₂O₃S
• Molecular Weight: 366.43
• CAS Registry Number: 87125-99-3
• SMILES: O=C(O)C(Sc1nc(cc(n1)C)c2ccc(OC)cc2)c3ccccc3
• InChI: 1S/C20H18N2O3S/c1-13-12-17(14-8-10-16(25-2)11-9-14)22-20(21-13)26-18(19(23)24)15-6-4-3-5-7-15/h3-12,18H,1-2H3,(H,23,24)
• InChIKey: OAPBYYJLNHQZCG-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 561.432°C at 760 mmHg (Cal.)
• Flash point: 293.344°C (Cal.)