2-{[(2E)-3-Phenyl-2-Propen-1-Yl]Sulfanyl}Nicotinic Acid
[CAS# 324779-96-6]

Identification

• Name: 2-{[(2E)-3-Phenyl-2-Propen-1-Yl]Sulfanyl}Nicotinic Acid
• Synonyms: 2-[(3-phenyl-2-propen-1-yl)thio]nicotinic acid; 2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine-3-carboxylic acid; 2-{[(2E)-3-phenylprop-2-en-1-yl]thio}nicotinic acid
• Molecular Formula: C₁₅H₁₃NO₂S
• Molecular Weight: 271.33
• CAS Registry Number: 324779-96-6
• SMILES: O=C(O)c2cccnc2SC/C=C/c1ccccc1
• InChI: 1S/C15H13NO2S/c17-15(18)13-9-4-10-16-14(13)19-11-5-8-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18)/b8-5+
• InChIKey: QJXFXWNDLUHFEU-VMPITWQZSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 464.844°C at 760 mmHg (Cal.)
• Flash point: 234.929°C (Cal.)
• Refractive index: 1.657 (Cal.)