3-Isothiocyanato-5-(1-Methylpyrrolidin-2-Yl)Pyridine
[CAS# 156577-11-6]

Identification

• Name: 3-Isothiocyanato-5-(1-Methylpyrrolidin-2-Yl)Pyridine
• Synonyms: 3-Isothiocyanato-5-(1-Methyl-2-Pyrrolidinyl)Pyridine; (R,S)-5-Isothiocyanonicotine; 5-Isothiocyanonicotine
• Molecular Formula: C₁₁H₁₃N₃S
• Molecular Weight: 219.30
• CAS Registry Number: 156577-11-6
• SMILES: S=C=NC1=CN=CC(=C1)C2CCCN2C
• InChI: 1S/C11H13N3S/c1-14-4-2-3-11(14)9-5-10(13-8-15)7-12-6-9/h5-7,11H,2-4H2,1H3
• InChIKey: PCFYBKBQWQQVTD-UHFFFAOYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 351.298°C at 760 mmHg (Cal.)
• Flash point: 166.259°C (Cal.)