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D-Galactose,diethyl dithioacetal

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Name

D-Galactose,diethyl dithioacetal

EINECS N/A
CAS No. 5463-33-2 Density 1.357 g/cm3
PSA 151.75000 LogP -0.74540
Solubility N/A Melting Point N/A
Formula C10H22O5S2 Boiling Point 570.3 °C at 760 mmHg
Molecular Weight 286.414 Flash Point 276.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5463-33-2 (D-Galactose,diethyl dithioacetal) Hazard Symbols N/A
Synonyms

D-Galactose,diethyl mercaptal;Galactose, diethyl mercaptal, D- (8CI);Galactose diethylmercaptal;NSC 20706;1,1-Bis-thioethylmercaptal-D-galactose;6,6-Bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol;

 

D-Galactose,diethyl dithioacetal Specification

The D-Galactose,diethyl dithioacetal, with the CAS registry number 5463-33-2, is also known as D-Glucose, diethyl mercaptal. This chemical's molecular formula is C10H22O5S2 and molecular weight is 286.41. What's more, its IUPAC name is 6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol.

Physical properties of D-Galactose,diethyl dithioacetal are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.08; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 36.76; (8)ACD/KOC (pH 7.4): 36.76; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 96.75 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 71.83 cm3; (15)Molar Volume: 210.9 cm3; (16)Polarizability: 28.47×10-24cm3; (17)Surface Tension: 66.2 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 276.2 °C; (20)Enthalpy of Vaporization: 98.25 kJ/mol; (21)Boiling Point: 570.3 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCSC(C(C(C(C(CO)O)O)O)O)SCC
(2)InChI: InChI=1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3
(3)InChIKey: BTOYCPDACQXQRS-UHFFFAOYSA-N

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