3-(5-Nitro-2-thioxo-1(2H)-pyridinyl)propanenitrile
[CAS# 90004-27-6]

Identification

• Name: 3-(5-Nitro-2-thioxo-1(2H)-pyridinyl)propanenitrile
• Synonyms: 3-(5-nitro-2-thioxopyridin-1(2H)-yl)propanenitrile
• Molecular Formula: C₈H₇N₃O₂S
• Molecular Weight: 209.23
• CAS Registry Number: 90004-27-6
• SMILES: c1cc(=S)n(cc1[N+](=O)[O-])CCC#N
• InChI: 1S/C8H7N3O2S/c9-4-1-5-10-6-7(11(12)13)2-3-8(10)14/h2-3,6H,1,5H2
• InChIKey: WNYHTLHAKMUUDF-UHFFFAOYSA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 348.27°C at 760 mmHg (Cal.)
• Flash point: 164.428°C (Cal.)