O-Ethyl [[4-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyphenyl]Methylamino]Methanethioate
[CAS# 147821-49-6]

Identification

• Name: O-Ethyl [[4-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyphenyl]Methylamino]Methanethioate
• Synonyms: O-Ethyl [[4-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxyphenyl]Methylamino]Methanethioate; [[4-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]Phenyl]Methylamino]Methanethioic Acid O-Ethyl Ester; [[4-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxybenzyl]Amino]Methanethioic Acid O-Ethyl Ester
• Molecular Formula: C₁₆H₂₃NO₆S
• Molecular Weight: 357.42
• CAS Registry Number: 147821-49-6
• SMILES: C2=C(OC1C(C(O)C(C(O1)C)O)O)C=CC(=C2)CNC(=S)OCC
• InChI: 1S/C16H23NO6S/c1-3-21-16(24)17-8-10-4-6-11(7-5-10)23-15-14(20)13(19)12(18)9(2)22-15/h4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,24)
• InChIKey: JOSHUAQJVMGTGS-UHFFFAOYSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 535.723°C at 760 mmHg (Cal.)
• Flash point: 277.795°C (Cal.)