2-Propyn-1-yl 6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
[CAS# 813455-07-1]

Identification

• Name: 2-Propyn-1-yl 6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
• Synonyms: prop-2-yn-1-yl 6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Molecular Formula: C₉H₁₀N₂O₂S
• Molecular Weight: 210.25
• CAS Registry Number: 813455-07-1
• SMILES: S=C1N\C(=C(\C(=O)OCC#C)CN1)C
• InChI: 1S/C9H10N2O2S/c1-3-4-13-8(12)7-5-10-9(14)11-6(7)2/h1H,4-5H2,2H3,(H2,10,11,14)
• InChIKey: BGERIBQFKLCORN-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 302.358°C at 760 mmHg (Cal.)
• Flash point: 136.661°C (Cal.)
• Refractive index: 1.601 (Cal.)