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Name |
3,6-Dioxa-1,8-octanedithiol |
EINECS | 239-044-2 |
CAS No. | 14970-87-7 | Density | 1.082 g/cm3 |
PSA | 96.06000 | LogP | 0.87920 |
Solubility | 11.4g/L at 19.8℃ | Melting Point |
N/A |
Formula | C6H14O2S2 | Boiling Point | 257.004 °C at 760 mmHg |
Molecular Weight | 182.308 | Flash Point | 109.233 °C |
Transport Information | UN 2810 | Appearance | N/A |
Safety | 26-45 | Risk Codes | 22-23-36/37/38 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
Ethanethiol,2,2'-(ethylenedioxy)di- (6CI,8CI);Ethyleneglycol di-2-mercaptoethyl ether;NSC 94782;Triethylene glycol dimercaptan;Triethylene glycol dithiol;1,2-Bis(2-mercaptoethoxy)ethane;1,2-Bis(2'-mercaptoethoxy)ethane;1,8-Dimercapto-3,6-dioxaoctane;2,2'-(Ethylenedioxy)diethanethiol;3,6-Dioxaoctane-1,8-dithiol; |
Article Data | 13 |
triethylene glycol di-(p-toluenesulfonate)
3,6-dioxa-1,8-octandithiol
Conditions | Yield |
---|---|
Stage #1: triethylene glycol di-(p-toluenesulfonate) With thiourea In ethanol Stage #2: With sodium hydroxide Heating; | 92% |
Multi-step reaction with 2 steps 1: sodium iodide / acetone / 18 h / 60 °C 2: hydrogenchloride / methanol; water / 3 h / 120 °C / Inert atmosphere View Scheme |
3,6-dioxa-1,8-octandithiol
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 120℃; for 3h; Inert atmosphere; | 73% |
1,2-bis-(2-bromo-ethoxy)-ethane
3,6-dioxa-1,8-octandithiol
Conditions | Yield |
---|---|
With potassium hydroxide; thiourea In ethanol | 64.3% |
2,2'-[1,2-ethanediylbis(oxy)]bisethanol
3,6-dioxa-1,8-octandithiol
Conditions | Yield |
---|---|
With hydrogenchloride; thiourea | 55% |
Multi-step reaction with 2 steps 1.1: 71 percent / aq. NaOH / tetrahydrofuran / 4 h / 0 °C 2.1: thiourea / aq. ethanol 2.2: 92 percent / aq. NaOH / Heating View Scheme | |
Multi-step reaction with 2 steps 1: 63 percent / PBr3; pyridine 2: 64.3 percent / thiourea; aq. KOH / ethanol View Scheme |
1,2-bis(2-chloroethoxy)ethane
3,6-dioxa-1,8-octandithiol
Conditions | Yield |
---|---|
With potassium hydroxide; thiourea 1.) 90percent ethanol, reflux, 5 h, 2.) water, reflux, 3 h; Yield given. Multistep reaction; | |
Stage #1: 1,2-bis(2-chloroethoxy)ethane With thiourea In ethanol for 2h; Substitution; Heating; Stage #2: With lithium aluminium tetrahydride In tetrahydrofuran Reduction; | |
With hydrazine hydrate; thiourea In water; toluene | |
With sodium trithiocarbonate In water Inert atmosphere; |
Allyl glycidyl ether
diethylene glycol divinyl ether
3,6-dioxa-1,8-octandithiol
Conditions | Yield |
---|---|
Stage #1: diethylene glycol divinyl ether; 3,6-dioxa-1,8-octandithiol With azobis(2-cyanobutane) at 50 - 70℃; for 2h; Stage #2: Allyl glycidyl ether With azobis(2-cyanobutane) at 70℃; for 37h; | 100% |
Allyl glycidyl ether
diethylene glycol divinyl ether
3,6-dioxa-1,8-octandithiol
Conditions | Yield |
---|---|
Stage #1: diethylene glycol divinyl ether; 3,6-dioxa-1,8-octandithiol With azobis(2-cyanobutane) at 60 - 70℃; for 10.8333h; Stage #2: Allyl glycidyl ether With azobis(2-cyanobutane) at 70℃; for 42h; | 100% |
3,6-dioxa-1,8-octandithiol
(E)-1-(4-(allyloxy)phenyl)ethan-1-one oxime
Conditions | Yield |
---|---|
With 2,2-dimethoxy-2-phenylacetophenone In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; UV-irradiation; | 100% |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 70℃; for 6h; Inert atmosphere; | 99% |
cycl-isopropylidene malonate
3,6-dioxa-1,8-octandithiol
trimethyl orthoformate
Conditions | Yield |
---|---|
Stage #1: cycl-isopropylidene malonate; trimethyl orthoformate for 1h; Reflux; Stage #2: 3,6-dioxa-1,8-octandithiol for 2h; Reflux; | 99% |
The CAS registry number of Ethanethiol,2,2'-[1,2-ethanediylbis(oxy)]bis- is 14970-87-7. This chemical is also named as 2,2'-[Ethane-1,2-diylbis(oxy)]diethanethiol. Its EINECS registry number is 239-044-2. In addition, its molecular formula is C6H14O2S2 and molecular weight is 182.3. Its IUPAC name is called 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol.
Physical properties about this chemical are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.302; (4)ACD/LogD (pH 7.4): 1.297; (5)ACD/BCF (pH 5.5): 5.748; (6)ACD/BCF (pH 7.4): 5.684; (7)ACD/KOC (pH 5.5): 121.697; (8)ACD/KOC (pH 7.4): 120.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 49.129 cm3; (14)Molar Volume: 168.397 cm3; (15)Surface Tension: 36.5 dyne/cm; (16)Density: 1.083 g/cm3; (17)Flash Point: 109.233 °C; (18)Enthalpy of Vaporization: 47.457 kJ/mol; (19)Boiling Point: 257.004 °C at 760 mmHg; (20)Vapour Pressure: 0.024 mmHg at 25°C.
Uses of Ethanethiol,2,2'-[1,2-ethanediylbis(oxy)]bis-: it can be used to produce 9-methylene-1,4-dioxa-7,11-dithia-cyclotridecane at temperature of 55 - 60 °C. It will need reagent Cs2CO3 and solvent dimethylformamide. The yield is about 72 %.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed or by inhalation.It is harmful if swallowed. It is irritating to eyes, respiratory system and skin.In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: C(COCCS)OCCS
(2)InChI: InChI=1/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2
(3)InChIKey: HCZMHWVFVZAHCR-UHFFFAOYAO