2-Mercapto-1-Methyl-1H-Imidazo[4,5-d]Pyridazine-4,7-Diol
[CAS# 5450-59-9]

Identification

• Name: 2-Mercapto-1-Methyl-1H-Imidazo[4,5-d]Pyridazine-4,7-Diol
• Synonyms: 1-Methyl-2-Thioxo-5,6-Dihydro-3H-Imidazo[4,5-D]Pyridazine-4,7-Dione; 1-Methyl-2-Thioxo-5,6-Dihydro-3H-Imidazo[4,5-D]Pyridazine-4,7-Quinone; 1-Methyl-2-Mercapto-4,7-Dihydroxy-1,3,5,6-Tetrazaindene
• Molecular Formula: C₆H₆N₄O₂S
• Molecular Weight: 198.20
• CAS Registry Number: 5450-59-9
• SMILES: CN1C(=S)NC2=C1C(NNC2=O)=O
• InChI: 1S/C6H6N4O2S/c1-10-3-2(7-6(10)13)4(11)8-9-5(3)12/h1H3,(H,7,13)(H,8,11)(H,9,12)
• InChIKey: DMAKXISAQGBPBI-UHFFFAOYSA-N

Properties

• Density: 1.751g/cm³ (Cal.)
• Boiling point: 627.3°C at 760 mmHg (Cal.)
• Flash point: 333.2°C (Cal.)