[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl](phenyl)acetic acid
[CAS# 87125-95-9]

Identification

• Name: [(4,6-Dimethyl-2-pyrimidinyl)sulfanyl](phenyl)acetic acid
• Synonyms: (4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-phenyl-acetic acid; (4,6-DIMETHYL-PYRIMIDIN-2-YLSULFANYL)-PHENYL-ACETICACID; 2-(4,6-dimethylpyrimidin-2-ylthio)-2-phenylacetic acid
• Molecular Formula: C₁₄H₁₄N₂O₂S
• Molecular Weight: 274.34
• CAS Registry Number: 87125-95-9
• SMILES: CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)C
• InChI: 1S/C14H14N2O2S/c1-9-8-10(2)16-14(15-9)19-12(13(17)18)11-6-4-3-5-7-11/h3-8,12H,1-2H3,(H,17,18)
• InChIKey: PGTNEQSEGPLBKE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 450.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 226.3±28.7°C (Cal.)

Safety Data

• Safety Description: IRRITANT