5-Sulfanylidene-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-dien-3-one
[CAS# 5334-33-8]

Identification

• Name: 5-Sulfanylidene-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-dien-3-one
• Synonyms: 4-Thioxo-1,2-Dihydropyrazolo[3,4-D]Pyrimidin-6-One; 4-Mercapto-1H-Pyrazolo[3,4-D]Pyrimidin-6-Ol; Nsc1404
• Molecular Formula: C₅H₄N₄OS
• Molecular Weight: 168.17
• CAS Registry Number: 5334-33-8
• SMILES: O=C2NC(=S)C1=CNNC1=N2
• InChI: 1S/C5H4N4OS/c10-5-7-3-2(1-6-9-3)4(11)8-5/h1H,(H3,6,7,8,9,10,11)
• InChIKey: KDAAPQIIYTZQEZ-UHFFFAOYSA-N

Properties

• Density: 2.083g/cm³ (Cal.)
• Boiling point: 374.2°C at 760 mmHg (Cal.)
• Flash point: 180.1°C (Cal.)