N-(4-Methoxy-3-Methylsulfonyloxy-9-Phenyl-5,8,10-Trioxabicyclo[4.4.0]Dec-2-Yl)-1-Methylsulfanyl-Methanethioamide
[CAS# 6945-62-6]

Identification

• Name: N-(4-Methoxy-3-Methylsulfonyloxy-9-Phenyl-5,8,10-Trioxabicyclo[4.4.0]Dec-2-Yl)-1-Methylsulfanyl-Methanethioamide
• Synonyms: [(6-Methoxy-7-Methylsulfonyloxy-2-Phenyl-4,4A,6,7,8,8A-Hexahydropyrano[5,6-D][1,3]Dioxin-8-Yl)Amino]Methanedithioic Acid Methyl Ester; Nsc52400
• Molecular Formula: C₁₇H₂₃NO₇S₃
• Molecular Weight: 449.55
• CAS Registry Number: 6945-62-6
• SMILES: C3=C(C2OCC1C(C(C(O[S](C)(=O)=O)C(O1)OC)NC(=S)SC)O2)C=CC=C3
• InChI: 1S/C17H23NO7S3/c1-21-16-14(25-28(3,19)20)12(18-17(26)27-2)13-11(23-16)9-22-15(24-13)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3,(H,18,26)
• InChIKey: AFSGSZQDDLIALJ-UHFFFAOYSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 623.507°C at 760 mmHg (Cal.)
• Flash point: 330.885°C (Cal.)