1-(3,4-Dihydroxyphenyl)-2-[(4-Hydroxy-6-Methyl-2-Pyrimidinyl)Sulfanyl]Ethanone
[CAS# 429649-34-3]

Identification

• Name: 1-(3,4-Dihydroxyphenyl)-2-[(4-Hydroxy-6-Methyl-2-Pyrimidinyl)Sulfanyl]Ethanone
• Synonyms: 1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-ethanone; 1-(3,4-dihydroxyphenyl)-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)ethanone; 1-(3,4-dihydroxyphenyl)-2-[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]ethanone
• Molecular Formula: C₁₃H₁₂N₂O₄S
• Molecular Weight: 292.31
• CAS Registry Number: 429649-34-3
• SMILES: CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O)O
• InChI: 1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)
• InChIKey: GYSSMOSVLZXNJL-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 622.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 330.2±31.5°C (Cal.)
• Refractive index: 1.718 (Cal.)