2-[(4-Methyl-2-Quinolinyl)Sulfanyl]Propanoic Acid
[CAS# 462068-47-9]

Identification

• Name: 2-[(4-Methyl-2-Quinolinyl)Sulfanyl]Propanoic Acid
• Synonyms: 2-(4-Methyl-quinolin-2-ylsulfanyl)-propionic acid; 2-[(4-methyl-2-quinolinyl)thio]propanoic acid; MFCD02594216
• Molecular Formula: C₁₃H₁₃NO₂S
• Molecular Weight: 247.31
• CAS Registry Number: 462068-47-9
• SMILES: CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)O
• InChI: 1S/C13H13NO2S/c1-8-7-12(17-9(2)13(15)16)14-11-6-4-3-5-10(8)11/h3-7,9H,1-2H3,(H,15,16)
• InChIKey: PZYFRXRGRLCMPV-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 439.9±35.0°C at 760 mmHg (Cal.)
• Flash point: 219.8±25.9°C (Cal.)
• Refractive index: 1.655 (Cal.)