1,2,3,5-Tetrahydro-7-Methyl-2-Thioxopteridin-4,6-Dione
[CAS# 6967-57-3]

Identification

• Name: 1,2,3,5-Tetrahydro-7-Methyl-2-Thioxopteridin-4,6-Dione
• Synonyms: 7-Methyl-2-Thioxo-1,5-Dihydropteridine-4,6-Dione; 7-Methyl-2-Thioxo-1,5-Dihydropteridine-4,6-Quinone; 2-Mercapto-7-Methyl-4,6-Pteridinediol
• Molecular Formula: C₇H₆N₄O₂S
• Molecular Weight: 210.21
• CAS Registry Number: 6967-57-3
• EINECS: 230-180-8
• SMILES: CC2=NC1=C(C(NC(=S)N1)=O)NC2=O
• InChI: 1S/C7H6N4O2S/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h1H3,(H,9,12)(H2,8,10,11,13,14)
• InChIKey: ASXQSQWURKMTJE-UHFFFAOYSA-N

Properties

• Density: 1.92g/cm³ (Cal.)
• Boiling point: 562.5°C at 760 mmHg (Cal.)
• Flash point: 294°C (Cal.)