5-Chloro-4-Sulfanylidene-1H-Quinoline-2-Carboxylic Acid
[CAS# 136036-87-8]

Identification

• Name: 5-Chloro-4-Sulfanylidene-1H-Quinoline-2-Carboxylic Acid
• Synonyms: 5-Chloro-4-Thioxo-1H-Quinoline-2-Carboxylic Acid; 5-Chlorothiokynurenic Acid; 5-Cl-Thio-Kyna
• Molecular Formula: C₁₀H₆ClNO₂S
• Molecular Weight: 239.68
• CAS Registry Number: 136036-87-8
• SMILES: C1=CC=C(Cl)C2=C1NC(=CC2=S)C(O)=O
• InChI: 1S/C10H6ClNO2S/c11-5-2-1-3-6-9(5)8(15)4-7(12-6)10(13)14/h1-4H,(H,12,15)(H,13,14)
• InChIKey: BMBZHFGIBHDMCV-UHFFFAOYSA-N

Properties

• Density: 1.614g/cm³ (Cal.)
• Boiling point: 381.902°C at 760 mmHg (Cal.)
• Flash point: 184.768°C (Cal.)