2-(Benzylsulfanyl)-7-hydroxy-6-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
[CAS# 98968-32-2]

Identification

• Name: 2-(Benzylsulfanyl)-7-hydroxy-6-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
• Synonyms: 2-BENZYLSULFANYL-6-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-5,7-DIOL
• Molecular Formula: C₁₃H₁₂N₄O₂S
• Molecular Weight: 288.33
• CAS Registry Number: 98968-32-2
• SMILES: O=C\2\N=C3\N=C(\SCc1ccccc1)NN3C(/O)=C/2C
• InChI: 1S/C13H12N4O2S/c1-8-10(18)14-12-15-13(16-17(12)11(8)19)20-7-9-5-3-2-4-6-9/h2-6,19H,7H2,1H3,(H,14,15,16,18)
• InChIKey: ICYITPAFRGKCKH-UHFFFAOYSA-N

Properties

• Density: 1.521g/cm³ (Cal.)
• Boiling point: 440.727°C at 760 mmHg (Cal.)
• Flash point: 220.344°C (Cal.)