2-[(6-Methyl-4-Oxo-1,4-Dihydro-2-Pyrimidinyl)Sulfanyl]Butanoic Acid
[CAS# 433253-10-2]

Identification

• Name: 2-[(6-Methyl-4-Oxo-1,4-Dihydro-2-Pyrimidinyl)Sulfanyl]Butanoic Acid
• Synonyms: 2-((6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)thio)butanoic acid; 2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]butanoic acid; 2-[(6-methyl-4-oxo-1,4-dihydro-2-pyrimidinyl)thio]butanoic acid
• Molecular Formula: C₉H₁₂N₂O₃S
• Molecular Weight: 228.27
• CAS Registry Number: 433253-10-2
• SMILES: O=C/1/N=C(/SC(C(=O)O)CC)N\C(=C\1)C
• InChI: 1S/C9H12N2O3S/c1-3-6(8(13)14)15-9-10-5(2)4-7(12)11-9/h4,6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
• InChIKey: AQZIIFZIPSTRAE-UHFFFAOYSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 395.221°C at 760 mmHg (Cal.)
• Flash point: 192.823°C (Cal.)
• Refractive index: 1.624 (Cal.)