7-Hydroxy-2-Isobutyl-5H-[1,3,4]Thiadiazolo[3,2-a]Pyrimidin-5-One
[CAS# 312316-18-0]

Identification

• Name: 7-Hydroxy-2-Isobutyl-5H-[1,3,4]Thiadiazolo[3,2-a]Pyrimidin-5-One
• Synonyms: 7-hydroxy-2-(2-methylpropyl)-4-hydro-1,3,4-thiadiazolino[3,2-a]pyrimidin-5-one; 7-hydroxy-2-(2-methylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• Molecular Formula: C₉H₁₁N₃O₂S
• Molecular Weight: 225.27
• CAS Registry Number: 312316-18-0
• SMILES: CC(C)C/C1=N/N2C(=O)\C=C(\O)/N=C2/S1
• InChI: 1S/C9H11N3O2S/c1-5(2)3-7-11-12-8(14)4-6(13)10-9(12)15-7/h4-5,13H,3H2,1-2H3
• InChIKey: BNDDABFHBILUOP-UHFFFAOYSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 342.883°C at 760 mmHg (Cal.)
• Flash point: 161.17°C (Cal.)
• Refractive index: 1.714 (Cal.)