THIOCELLOBIOSE

The CAS register number of D-Glucose, 4-S-b-D-glucopyranosyl-4-thio- is 80951-92-4. It also can be called as Thiocellobiose and the IUPAC name about this chemical is (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexanal. The molecular formula about this chemical is C₁₂H₂₂O₁₀S and molecular weight is 358.36. It belongs to the following product categories which include Oligosaccharide Compounds; Oligosaccharides and so on. This chemical can be used as an inducer of cellulose-degrading enzymes. 

Physical properties about D-Glucose, 4-S-b-D-glucopyranosyl-4-thio- are: (1)ACD/LogP: -3.25; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 8; (5)#Freely Rotating Bonds: 16; (6)Polar Surface Area: 125.44Ų; (7)Index of Refraction: 1.66; (8)Molar Refractivity: 77.74 cm³; (9)Molar Volume: 210.5 cm³; (10)Polarizability: 30.82x10^-24cm³; (11)Surface Tension: 109.1 dyne/cm; (12)Flash Point: 405.1 °C; (13)Enthalpy of Vaporization: 124.15 kJ/mol; (14)Boiling Point: 746.2 °C at 760 mmHg; (15)Vapour Pressure: 1.06E-25 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@H](O)[C@@H](O)[C@H](S[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)CO
(2)InChI: InChI=1/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
(3)InChIKey: VMEDEPBFFWJMMG-WELRSGGNBI
(4)Std. InChI: 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
(5)Std. InChIKey: VMEDEPBFFWJMMG-WELRSGGNSA-N