7-(Heptadecylsulfanyl)-8-Hydroxy-5,6-Quinolinedione
[CAS# 53193-62-7]

Identification

• Name: 7-(Heptadecylsulfanyl)-8-Hydroxy-5,6-Quinolinedione
• Synonyms: 5,8-Quinolinedione, 7- (heptadecylthio)-6-hydroxy-; 5,8-quinolinedione, 7-(heptadecylthio)-6-hydroxy-; 5,8-Quinolinedione, 7-(heptadecylthio)-6-hydroxy- (9CI)
• Molecular Formula: C₂₆H₃₉NO₃S
• Molecular Weight: 445.66
• CAS Registry Number: 53193-62-7
• SMILES: O=C2c1cccnc1C(/O)=C(/SCCCCCCCCCCCCCCCCC)C2=O
• InChI: 1S/C26H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26-24(29)22-21(18-17-19-27-22)23(28)25(26)30/h17-19,29H,2-16,20H2,1H3
• InChIKey: GTMVFAPWRQCGFQ-UHFFFAOYSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 577.165°C at 760 mmHg (Cal.)
• Flash point: 302.859°C (Cal.)