| Identification | |
| Name: | b-D-Glucopyranose, 1-thio-,2,3,4,6-tetraacetate 1-(O-ethyl carbonodithioate) (9CI) |
| Synonyms: | Glucopyranose,1-thio-, 2,3,4,6-tetraacetate 1-(O-ethyl dithiocarbonate), b-D- (8CI);Glucopyranose,1-thio-, 2,3,4,6-tetraacetate 1-(ethylxanthate) (7CI);Carbonic acid, dithio-,O-ethyl S-b-D-glucopyranosyl estertetraacetate;NSC 66060; |
| CAS: | 13639-54-8 |
| Molecular Formula: | C17H24O10S2 |
| Molecular Weight: | 452.5 |
| InChI: | InChI=1/C17H24O10S2/c1-6-22-17(28)29-16-15(26-11(5)21)14(25-10(4)20)13(24-9(3)19)12(27-16)7-23-8(2)18/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 264.8°C |
| Boiling Point: | 514.3°Cat760mmHg |
| Density: | 1.34 |
| Refractive index: | 1.535 |
| Specification: |
The 1-Thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-(O-ethylcarbonodithioate), with the CAS registry number 13639-54-8, has the systematic name of 2,3,4,6-tetra-O-acetyl-1-S-(ethoxycarbothioyl)-1-thiohexopyranose. It belongs to the product category of Carbohydrates. And the molecular formula of the chemical is C17H24O10S2. The characteristics of this chemical are as followings: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 181.05 Å2; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 104.64 cm3; (9)Molar Volume: 336 cm3; (10)Polarizability: 41.48×10-24cm3; (11)Surface Tension: 54.4 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 264.8 °C; (14)Enthalpy of Vaporization: 78.59 kJ/mol; (15)Boiling Point: 514.3 °C at 760 mmHg; (16)Vapour Pressure: 1.1E-10 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Flash Point: | 264.8°C |
| Safety Data | |
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