2-(Benzylsulfanyl)-5-Methyl[1,2,4]Triazolo[1,5-a]Pyrimidin-7-Ol
[CAS# 51646-33-4]

Identification

• Name: 2-(Benzylsulfanyl)-5-Methyl[1,2,4]Triazolo[1,5-a]Pyrimidin-7-Ol
• Synonyms: 2-(benzylsulfanyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol; 2-(benzylsulfanyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol; 2-Benzylsulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
• Molecular Formula: C₁₃H₁₂N₄OS
• Molecular Weight: 272.33
• CAS Registry Number: 51646-33-4
• SMILES: CC1=NC2=NC(=NN2C(=C1)O)SCC3=CC=CC=C3
• InChI: 1S/C13H12N4OS/c1-9-7-11(18)17-12(14-9)15-13(16-17)19-8-10-5-3-2-4-6-10/h2-7,18H,8H2,1H3
• InChIKey: WBMDIYHWUJHSFE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 219-220°C (Expl.)