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7426-02-0

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Basic Information
CAS No.: 7426-02-0
Name: BIS(2-HYDROXYETHYL THIOETHYL)ETHER
Article Data: 1
Molecular Structure:
Molecular Structure of 7426-02-0 (BIS(2-HYDROXYETHYL THIOETHYL)ETHER)
Formula: C8H18O3S2
Molecular Weight: 226.361
Synonyms: Ethanol,2,2'-[oxybis(ethylenethio)]di- (7CI,8CI);1,11-Dihydroxy-6-oxa-3,9-dithiaundecane;2,2'-[Oxybis(ethylenethio)]diethanol;6-Oxa-3,9-dithiaundecane-1,11-diol;b,b'-Bis(hydroxyethylthio)ethyl ether;
Density: 1.187 g/cm3
Boiling Point: 343.5 °C at 760 mmHg
Flash Point: 161.5 °C
PSA: 100.29000
LogP: 0.45400
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Specification

The CAS registry number of Ethanol,2,2'-[oxybis(2,1-ethanediylthio)]bis- is 7426-02-0. This chemical is also named as ethanol, 1,1'-[oxybis(2,1-ethanediylthio)]bis-. In addition, its molecular formula is C8H18O3S2 and molecular weight is 226.36. Its systematic name is called 1,1'-[oxybis(ethane-2,1-diylsulfanediyl)]diethanol.

Physical properties about Ethanol,2,2'-[oxybis(2,1-ethanediylthio)]bis- are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.53; (6)ACD/BCF (pH 7.4): 3.53; (7)ACD/KOC (pH 5.5): 85.88; (8)ACD/KOC (pH 7.4): 85.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 59.83 cm3; (14)Molar Volume: 190.6 cm3; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.187 g/cm3; (17)Flash Point: 161.5 °C; (18)Enthalpy of Vaporization: 68.03 kJ/mol; (19)Boiling Point: 343.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(O)SCCOCCSC(C)O
(2)InChI: InChI=1/C8H18O3S2/c1-7(9)12-5-3-11-4-6-13-8(2)10/h7-10H,3-6H2,1-2H3
(3)InChIKey: JKPAVZLKVCCDIH-UHFFFAOYAL