5-Nitro-2-Thioxo-1,2-Dihydro-3-Pyridinecarboxylic Acid
[CAS# 156896-47-8]

Identification

• Name: 5-Nitro-2-Thioxo-1,2-Dihydro-3-Pyridinecarboxylic Acid
• Synonyms: 5-nitro-2-thioxo-1,2-dihydropyridine-3-carboxylic acid
• Molecular Formula: C₆H₄N₂O₄S
• Molecular Weight: 200.17
• CAS Registry Number: 156896-47-8
• SMILES: O=C(O)c1cc(cnc1S)N(=O)=O
• InChI: 1S/C6H4N2O4S/c9-6(10)4-1-3(8(11)12)2-7-5(4)13/h1-2H,(H,7,13)(H,9,10)
• InChIKey: YPNMCSQWAWISCQ-UHFFFAOYSA-N

Properties

• Density: 1.673g/cm³ (Cal.)
• Boiling point: 422.022°C at 760 mmHg (Cal.)
• Flash point: 209.032°C (Cal.)
• Refractive index: 1.695 (Cal.)