5-Methyl-2-(Sulfanylmethyl)-1H-[1,2,4]Triazolo[5,1-b]Pyrimidin-7-One
[CAS# 72796-89-5]

Identification

• Name: 5-Methyl-2-(Sulfanylmethyl)-1H-[1,2,4]Triazolo[5,1-b]Pyrimidin-7-One
• Synonyms: 2-(Mercaptomethyl)-5-Methyl-1H-[1,2,4]Triazolo[5,1-B]Pyrimidin-7-One; (1,2,4)Triazolo(1,5-A)Pyrimidin-7-Ol, 2-(Mercaptomethyl)-5-Methyl-; 5-Methyl-2-Mercaptomethyl-S-Triazolo(1,5-A)Pyrimidin-7-Ol
• Molecular Formula: C₇H₈N₄OS
• Molecular Weight: 196.23
• CAS Registry Number: 72796-89-5
• SMILES: C(S)C2=NC1=NC(=CC(=O)N1N2)C
• InChI: 1S/C7H8N4OS/c1-4-2-6(12)11-7(8-4)9-5(3-13)10-11/h2,13H,3H2,1H3,(H,8,9,10)
• InChIKey: DZBAOTXCAMRFHP-UHFFFAOYSA-N

Properties

• Density: 1.66g/cm³ (Cal.)
• Boiling point: 303.68°C at 760 mmHg (Cal.)
• Flash point: 137.461°C (Cal.)