D-GLUCOSE DIETHYL MERCAPTAL

The D-Glucose, diethyldithioacetal, with the CAS registry number 1941-52-2, is also known as Glucose diethyl mercaptal. It belongs to the product categories of Biochemistry; Glucose; O-Substituted Sugars; Sugars. Its EINECS registry number is 217-728-1. This chemical's molecular formula is C₁₀H₂₂O₅S₂ and molecular weight is 286.41. What's more, its systematic name and its IUPAC name are the same which is called 6,6-Bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol. It should be preserved hermetically at 2-8°C.

Physical properties about D-Glucose, diethyldithioacetal: (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: 96.75Ų; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 71.83 cm³; (15)Molar Volume: 210.9 cm³; (16)Surface Tension: 66.2 dyne/cm; (17)Density: 1.357 g/cm³; (18)Flash Point: 276.2 °C; (19)Enthalpy of Vaporization: 98.25 kJ/mol; (20)Boiling Point: 570.3 °C at 760 mmHg; (21)Vapour Pressure: 2.22E-15 mmHg at 25 °C; (22)Melting point: 126-130 °C.

When you are dealing with this chemical, you should be very careful and obtain special instructions before using it. This chemical is irritant and may cause inflammation to the skin, eyes or other mucous membranes. It may cause heritable genetic damage and may impair fertility possibly. What's more, it may be harmful to the unborn child. And it may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing and gloves in order to avoid contact with skin and eyes. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C(SCC)SCC)C(O)C(O)C(O)CO
(2) InChI: InChI=1/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-UHFFFAOYAP