3-Methyl-7-thioxo-6,7-dihydro-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
[CAS# 94350-96-6]

Identification

• Name: 3-Methyl-7-thioxo-6,7-dihydro-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
• Synonyms: 3-methyl-7-sulfanyl-1,3,4-thiadiazolino[2,3-c]1,2,4-triazin-4-one; 3-methyl-7-sulfanyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one; 7-Mercapto-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one pyridinium salt
• Molecular Formula: C₅H₄N₄OS₂
• Molecular Weight: 200.24
• CAS Registry Number: 94350-96-6
• SMILES: O=C2/C(=N\N=C1\SC(=S)NN12)C
• InChI: 1S/C5H4N4OS2/c1-2-3(10)9-4(7-6-2)12-5(11)8-9/h1H3,(H,8,11)
• InChIKey: YJFLMNUAMMCWMI-UHFFFAOYSA-N

Properties

• Density: 1.992g/cm³ (Cal.)
• Boiling point: 287.851°C at 760 mmHg (Cal.)
• Flash point: 127.888°C (Cal.)