3-[(4,6-Dimethyl-2-Quinolinyl)Sulfanyl]Propanoic Acid
[CAS# 330832-52-5]

Identification

• Name: 3-[(4,6-Dimethyl-2-Quinolinyl)Sulfanyl]Propanoic Acid
• Synonyms: 3-(4,6-dimethyl-2-quinolylthio)propanoic acid; 3-(4,6-Dimethyl-quinolin-2-ylsulfanyl)-propionic acid; 3-[(4,6-dimethylquinolin-2-yl)thio]propanoic acid
• Molecular Formula: C₁₄H₁₅NO₂S
• Molecular Weight: 261.34
• CAS Registry Number: 330832-52-5
• SMILES: CC1=CC2=C(C=C1)N=C(C=C2C)SCCC(=O)O
• InChI: 1S/C14H15NO2S/c1-9-3-4-12-11(7-9)10(2)8-13(15-12)18-6-5-14(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
• InChIKey: DZGHJKPVJUIMED-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 468.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 237.3±28.7°C (Cal.)
• Refractive index: 1.645 (Cal.)