CAS No.5244-34-8,3,6-Dithia-1,8-octanediol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5244-34-8
Name:	3,6-Dithia-1,8-octanediol
Article Data:	23

Formula:	C₆H₁₄O₂S₂
Molecular Weight:	182.308
Synonyms:	Ethanol,2,2'-(ethylenedithio)di- (6CI,7CI,8CI);1,10-Dioxa-4,7-dithiadecane;1,2-Bis(2-hydroxyethylthio)ethane;1,2-Bis(b-hydroxyethylthio)ethane;1,8-Dihydroxy-3,6-dithiaoctane;1,8-Dihydroxy-3,6-dithiooctane;1,8-Dihydroxy-3,6-octanedithione;2,2'-(Ethylenedithio)diethanol;3,6-Dithia-1,8-octanediol;3,6-Dithiaoctan-1,8-diol;Di(b-hydroxyethyl)ethylene disulfide;SZ 3;
EINECS:	226-045-8
Density:	1.337 g/cm³
Melting Point:	63-64 °C(lit.)
Boiling Point:	345.956 °C at 760 mmHg
Flash Point:	168.319 °C
Appearance:	white solid.
Safety:	22-24/25
PSA:	91.06000
LogP:	0.43740

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Specification

The Ethanol,2,2'-[1,2-ethanediylbis(thio)]bis-, with CAS registry number 5244-34-8, belongs to the following product categories: (1)Fine Chemical & Intermediates; (2)Building Blocks. It has the systematic name of 1,2-dithiocane-3,8-diol. This chemical is a kind of white fine crystalline powder. When use it, do not breathe dust and avoid contact with skin and eyes. What's more, its EINECS is 226-045-8.

Physical properties of Ethanol,2,2'-[1,2-ethanediylbis(thio)]bis-: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 78; (8)ACD/KOC (pH 7.4): 78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.06 Å²; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 47.175 cm³; (15)Molar Volume: 134.86 cm³; (16)Polarizability: 18.702×10^-24cm³; (17)Surface Tension: 53.522 dyne/cm; (18)Enthalpy of Vaporization: 68.339 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-ethanol and ethane-1,2-dithiol. This reaction will need reagent sodium ethoxide and solvent ethanol.

Uses of Ethanol,2,2'-[1,2-ethanediylbis(thio)]bis-: it can be used to produce 2,2'-ethane-1,2-diylbissulfanyl-bis-ethanethiol. This reaction will need reagents thiourea, conc. HCl. The reaction time is 3 hour(s). The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCCC(O)SS1
(2)InChI: InChI=1/C6H12O2S2/c7-5-3-1-2-4-6(8)10-9-5/h5-8H,1-4H2
(3)InChIKey: NXXCPZRGYCJCAS-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H12O2S2/c7-5-3-1-2-4-6(8)10-9-5/h5-8H,1-4H2
(5)Std. InChIKey: NXXCPZRGYCJCAS-UHFFFAOYSA-N