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7425-93-6

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Basic Information
CAS No.: 7425-93-6
Name: 1,4-BIS(2-HYDROXYETHYL THIO)BUTANE
Article Data: 3
Molecular Structure:
Molecular Structure of 7425-93-6 (1,4-BIS(2-HYDROXYETHYL THIO)BUTANE)
Formula: C8H18O2S2
Molecular Weight: 210.362
Synonyms: 2,2'-(Tetramethylenedithio)diethanol;Ethanol,2,2'-(tetramethylenedithio)di- (6CI,7CI,8CI);1,4-Bis(2-hydroxyethylthio)butane;
EINECS: 231-063-4
Density: 1.146 g/cm3
Boiling Point: 386.3 °C at 760 mmHg
Flash Point: 187.7 °C
PSA: 91.06000
LogP: 1.21760
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  • Ethanol,2,2'-[1,4-butanediylbis(thio)]bis-

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Specification

The CAS registry number of Ethanol,2,2'-[1,4-butanediylbis(thio)]bis- is 7425-93-6. This chemical is also named as 2,2'-(Butane-1,4-diyldisulfanediyl)diethanol. Its EINECS registry number is 231-063-4. In addition, its molecular formula is C8H18O2S2 and molecular weight is 210.36. Its IUPAC name is called 2-[4-(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol.

Physical properties about Ethanol,2,2'-[1,4-butanediylbis(thio)]bis- are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.03; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 57.75; (8)ACD/KOC (pH 7.4): 57.75; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 58.17 cm3; (14)Molar Volume: 183.5 cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.146 g/cm3; (17)Flash Point: 187.7 °C; (18)Enthalpy of Vaporization: 73.46 kJ/mol; (19)Boiling Point: 386.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: S(CCCCSCCO)CCO
(2)InChI: InChI=1/C8H18O2S2/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,1-8H2
(3)InChIKey: FORJWQPDKXQQOG-UHFFFAOYAT