5-Methyl-3-thioxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-one
[CAS# 91184-07-5]

Identification

• Name: 5-Methyl-3-thioxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-7(1H)-one
• Synonyms: 3-Mercapto-5-methyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
• Molecular Formula: C₆H₆N₄OS
• Molecular Weight: 182.20
• CAS Registry Number: 91184-07-5
• SMILES: S=C2NN/C1=N/C(=O)/C=C(\N12)C
• InChI: 1S/C6H6N4OS/c1-3-2-4(11)7-5-8-9-6(12)10(3)5/h2H,1H3,(H,9,12)(H,7,8,11)
• InChIKey: HCODANNGUOSOCH-UHFFFAOYSA-N

Properties

• Density: 1.785g/cm³ (Cal.)
• Boiling point: 272.825°C at 760 mmHg (Cal.)
• Flash point: 118.801°C (Cal.)