4-Methylphenyl 2,3,4,6-Tetra-O-Acetyl-1-Thiohexopyranoside
[CAS# 28244-99-7]

Identification

• Name: 4-Methylphenyl 2,3,4,6-Tetra-O-Acetyl-1-Thiohexopyranoside
• Synonyms: 4-Methylphenyl 1-thio-β-d-glucoside; 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside #; 4-METHYLPHENYL 2,3,4,6-TETRA-O-ACETYL-B-D-THIOGALACTOPYRANOSIDE
• Molecular Formula: C₂₁H₂₆O₉S
• Molecular Weight: 454.49
• CAS Registry Number: 28244-99-7
• SMILES: O=C(OCC2OC(Sc1ccc(cc1)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C
• InChI: 1S/C21H26O9S/c1-11-6-8-16(9-7-11)31-21-20(29-15(5)25)19(28-14(4)24)18(27-13(3)23)17(30-21)10-26-12(2)22/h6-9,17-21H,10H2,1-5H3
• InChIKey: XRFOIRMXQHXTRL-UHFFFAOYSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 524.452°C at 760 mmHg (Cal.)
• Flash point: 251.553°C (Cal.)
• Refractive index: 1.547 (Cal.)