Thiocellobiose
[CAS# 81536-60-9]

Identification

• Name: Thiocellobiose
• Synonyms: (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Hexanal; (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Hexanal; (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Hexanal
• Molecular Formula: C₁₂H₂₂O₁₀S
• Molecular Weight: 358.36
• CAS Registry Number: 81536-60-9
• SMILES: [C@H]1([C@H]([C@@H]([C@H](O[C@H]1S[C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](CO)O)CO)O)O)O
• InChI: 1S/C12H22O10S/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12-/m0/s1
• InChIKey: VMEDEPBFFWJMMG-WELRSGGNSA-N

Properties

• Density: 1.702g/cm³ (Cal.)
• Boiling point: 746.219°C at 760 mmHg (Cal.)
• Flash point: 405.099°C (Cal.)