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D-Glucose, cyclic1,2-ethanediyl dithioacetal

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Name

D-Glucose, cyclic1,2-ethanediyl dithioacetal

EINECS 222-889-6
CAS No. 3650-65-5 Density 1.587 g/cm3
PSA 151.75000 LogP -1.77160
Solubility N/A Melting Point 144-149 °C(lit.)
Formula C8H16O5S2 Boiling Point 630.8 °C at 760 mmHg
Molecular Weight 256.344 Flash Point 305.3 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3650-65-5 (D-GLUCOSE  ETHYLENEDITHIOACETAL  97) Hazard Symbols N/A
Synonyms

D-Glucose,cyclic 1,2-ethanediyl mercaptal;D-Glucose, cyclic ethylene mercaptal(6CI,7CI,8CI);D-Glucose ethylene dithioacetal;NSC 143003;D-Glucose cyclic ethylene dithioacetal;D-Glucose, ethylenedithioacetal;

 

D-Glucose, cyclic1,2-ethanediyl dithioacetal Specification

The D-Glucose, cyclic1,2-ethanediyl dithioacetal, with the CAS registry number 3650-65-5, is also known as D-Glucose, ethylenedithioacetal. Its EINECS number is 222-889-6. This chemical's molecular formula is C8H16O5S2 and molecular weight is 256.34. What's more, its systematic name is (1R,2S,3R,4R)-1-(1,3-dithiolan-2-yl)pentane-1,2,3,4,5-pentol (non-preferred name). It should be sealed and stored in a cool and dry place. Moreover, its storage temperature is 2 - 8 °C.

Physical properties of D-Glucose, cyclic1,2-ethanediyl dithioacetal are: (1)ACD/LogP: -2.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.42; (4)ACD/LogD (pH 7.4): -2.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.16; (8)ACD/KOC (pH 7.4): 1.16; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 96.75 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 60.84 cm3; (15)Molar Volume: 161.4 cm3; (16)Polarizability: 24.11×10-24cm3; (17)Surface Tension: 92.3 dyne/cm; (18)Density: 1.587 g/cm3; (19)Flash Point: 305.3 °C; (20)Enthalpy of Vaporization: 106.92 kJ/mol; (21)Boiling Point: 630.8 °C at 760 mmHg; (22)Vapour Pressure: 1.46E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]([C@@H](O)C1SCCS1)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1S/C8H16O5S2/c9-3-4(10)5(11)6(12)7(13)8-14-1-2-15-8/h4-13H,1-3H2/t4-,5-,6+,7-/m1/s1
(3)InChIKey: LOVIILREBFKRIA-MVIOUDGNSA-N

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