5-{[(4-Chlorophenyl)sulfanyl]methyl}-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
[CAS# 86451-38-9]

Identification

• Name: 5-{[(4-Chlorophenyl)sulfanyl]methyl}-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
• Synonyms: 5-{[(4-chlorophenyl)sulfanyl]methyl}-2,2,8-trimethyl-4h-[1,3]dioxino[4,5-c]pyridine; NSC71068
• Molecular Formula: C₁₇H₁₈ClNO₂S
• Molecular Weight: 335.85
• CAS Registry Number: 86451-38-9
• SMILES: Clc3ccc(SCc1cnc(c2OC(OCc12)(C)C)C)cc3
• InChI: 1S/C17H18ClNO2S/c1-11-16-15(9-20-17(2,3)21-16)12(8-19-11)10-22-14-6-4-13(18)5-7-14/h4-8H,9-10H2,1-3H3
• InChIKey: QOQFIHNYLQDDPB-UHFFFAOYSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 452.68°C at 760 mmHg (Cal.)
• Flash point: 227.573°C (Cal.)