5-Methyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
[CAS# 87373-59-9]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Dihydropyridine
• Name: 5-Methyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
• Synonyms: 2-Mercapto-5-methylnicotinonitrile; 2-Mercapto-5-methyl-nicotinonitrile; 3-Cyano-2-mercapto-5-methylpyridine
• Molecular Formula: C₇H₆N₂S
• Molecular Weight: 150.20
• CAS Registry Number: 87373-59-9
• SMILES: N#C\C1=C\C(=C/NC1=S)C
• InChI: 1S/C7H6N2S/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,1H3,(H,9,10)
• InChIKey: HLASGKVMKXIMSD-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 238.089°C at 760 mmHg (Cal.)
• Flash point: 97.793°C (Cal.)