2-(Benzylsulfanyl)-7-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
[CAS# 98968-26-4]

Identification

• Name: 2-(Benzylsulfanyl)-7-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
• Synonyms: 2-(benzylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol; 2-BENZYLSULFANYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-5,7-DIOL
• Molecular Formula: C₁₂H₁₀N₄O₂S
• Molecular Weight: 274.30
• CAS Registry Number: 98968-26-4
• SMILES: O=C\2\N=C3\N=C(\SCc1ccccc1)NN3C(/O)=C/2
• InChI: 1S/C12H10N4O2S/c17-9-6-10(18)16-11(13-9)14-12(15-16)19-7-8-4-2-1-3-5-8/h1-6,18H,7H2,(H,13,14,15,17)
• InChIKey: IPELDJKFQAXJGL-UHFFFAOYSA-N

Properties

• Density: 1.574g/cm³ (Cal.)
• Melting point: 199-210°C (Expl.)
• Boiling point: 435.977°C at 760 mmHg (Cal.)
• Flash point: 217.472°C (Cal.)