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6748-70-5

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Basic Information
CAS No.: 6748-70-5
Name: L-RHAMNOSE DIETHYLMERCAPTAL
Article Data: 6
Molecular Structure:
Molecular Structure of 6748-70-5 (L-RHAMNOSE DIETHYLMERCAPTAL)
Formula: C10H22O4S2
Molecular Weight: 270.414
Synonyms: L-Mannose,6-deoxy-, diethyl mercaptal;Rhamnose, diethyl mercaptal, L- (8CI);NSC 89871;
Density: 1.266g/cm3
Melting Point: 128-130oC
Boiling Point: 495.1 °C at 760 mmHg
Flash Point: 240 °C
PSA: 131.52000
LogP: 0.28220
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Specification

The L-Rhamnose diethyl mercaptal, with CAS registry number 6748-70-5, has the systematic name of 1,1-bis(ethylsulfanyl)hexane-2,3,4,5-tetrol (non-preferred name). And its IUPAC name is the same one. Besides this, it is also called 6-Deoxy-L-mannose diethyl dithioacetal.

Physical properties about this chemical are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 87.52 Å2; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 70.3 cm3; (9)Molar Volume: 213.4 cm3; (10)Polarizability: 27.87×10-24cm3; (11)Surface Tension: 56.4 dyne/cm; (12)Enthalpy of Vaporization: 87.83 kJ/mol; (13)Vapour Pressure: 7.07E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: OC(C(SCC)SCC)C(O)C(O)C(O)C
(2)InChI: InChI=1/C10H22O4S2/c1-4-15-10(16-5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3
(3)InChIKey: MKFOCLXLRFQETN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H22O4S2/c1-4-15-10(16-5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3
(5)Std. InChIKey: MKFOCLXLRFQETN-UHFFFAOYSA-N