3-Butyn-1-yl 6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
[CAS# 813454-79-4]

Identification

• Name: 3-Butyn-1-yl 6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
• Synonyms: but-3-yn-1-yl 6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Molecular Formula: C₁₀H₁₂N₂O₂S
• Molecular Weight: 224.28
• CAS Registry Number: 813454-79-4
• SMILES: S=C1N\C(=C(\C(=O)OCCC#C)CN1)C
• InChI: 1S/C10H12N2O2S/c1-3-4-5-14-9(13)8-6-11-10(15)12-7(8)2/h1H,4-6H2,2H3,(H2,11,12,15)
• InChIKey: FNLAOUDOPGSXNY-UHFFFAOYSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 335.492°C at 760 mmHg (Cal.)
• Flash point: 156.7°C (Cal.)
• Refractive index: 1.589 (Cal.)