3-[(4,6-Dihydroxy-5-Isopropyl-2-Pyrimidinyl)Sulfanyl]Propanoic Acid
[CAS# 337499-88-4]

Identification

• Name: 3-[(4,6-Dihydroxy-5-Isopropyl-2-Pyrimidinyl)Sulfanyl]Propanoic Acid
• Synonyms: 3-((4-hydroxy-5-isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)propanoic acid; 3-(4-Hydroxy-5-isopropyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid; 3-(4-Hydroxy-5-isopropyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionicacid
• Molecular Formula: C₁₀H₁₄N₂O₄S
• Molecular Weight: 258.29
• CAS Registry Number: 337499-88-4
• SMILES: CC(C)C1=C(N=C(N=C1O)SCCC(=O)O)O
• InChI: 1S/C10H14N2O4S/c1-5(2)7-8(15)11-10(12-9(7)16)17-4-3-6(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H2,11,12,15,16)
• InChIKey: SMKGDVZLKAQNHT-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 510.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 262.8±30.1°C (Cal.)
• Refractive index: 1.626 (Cal.)

Safety Data

• Safety Description: IRRITANT