Ethanol,2,2'-[1,4-butanediylbis(thio)]bis- supplier

Name
1,4-BIS(2-HYDROXYETHYL THIO)BUTANE
EINECS 231-063-4
CAS No. 7425-93-6
Article Data3
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point
Formula C₈H₁₈O₂S₂
Boiling Point 386.3 °C at 760 mmHg
Molecular Weight 210.362
Flash Point 187.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2'-(Tetramethylenedithio)diethanol;Ethanol,2,2'-(tetramethylenedithio)di- (6CI,7CI,8CI);1,4-Bis(2-hydroxyethylthio)butane;
PSA 91.06000
LogP 1.21760

Ethanol,2,2'-[1,4-butanediylbis(thio)]bis- 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

Product Name

1,4-BIS(2-HYDROXYETHYL THIO)BUTANE

Ethanol,2,2'-[1,4-butanediylbis(thio)]bis- Specification

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