4-Sulfanylidene-1H-Quinoline-2-Carboxylic Acid
[CAS# 135025-53-5]

Identification

• Name: 4-Sulfanylidene-1H-Quinoline-2-Carboxylic Acid
• Synonyms: 4-Thioxo-1H-Quinoline-2-Carboxylic Acid; 2-Quinolinecarboxylic Acid, 4-Mercapto-; 4-Thiokynurenic Acid
• Molecular Formula: C₁₀H₇NO₂S
• Molecular Weight: 205.23
• CAS Registry Number: 135025-53-5
• SMILES: C2=C1NC(=CC(=S)C1=CC=C2)C(O)=O
• InChI: 1S/C10H7NO2S/c12-10(13)8-5-9(14)6-3-1-2-4-7(6)11-8/h1-5H,(H,11,14)(H,12,13)
• InChIKey: XZIHFALIJOJWOV-UHFFFAOYSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 355.801°C at 760 mmHg (Cal.)
• Flash point: 168.982°C (Cal.)