4-Methylphenyl 4,6-O-benzylidene-1-thio-beta-D-glucopyranoside
[CAS# 868241-49-0]

Identification

• Name: 4-Methylphenyl 4,6-O-benzylidene-1-thio-beta-D-glucopyranoside
• Synonyms: 4-Methylphenyl4,6-O-benzylidene-1-thio-b-D-glucopyranoside
• Molecular Formula: C₂₀H₂₂O₅S
• Molecular Weight: 374.45
• CAS Registry Number: 868241-49-0
• SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)COC(O3)C4=CC=CC=C4)O)O
• InChI: 1S/C20H22O5S/c1-12-7-9-14(10-8-12)26-20-17(22)16(21)18-15(24-20)11-23-19(25-18)13-5-3-2-4-6-13/h2-10,15-22H,11H2,1H3/t15-,16-,17-,18-,19?,20+/m1/s1
• InChIKey: XIHVGCBDTUPQRQ-NPKOBNKKSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 585.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 308.0±30.1°C (Cal.)
• Refractive index: 1.656 (Cal.)