3,6-Dithiaoctane

Base Information

• Chemical Name: 3,6-Dithiaoctane
• CAS No.: 5395-75-5
• Molecular Formula: C6H14 S2
• Molecular Weight: 150.309
• Hs Code.: 2930909090
• European Community (EC) Number: 226-409-6
• NSC Number: 2283
• UNII: 07DT8QJ745
• DSSTox Substance ID: DTXSID0022226
• Nikkaji Number: J114.115E
• Wikidata: Q27236299
• Mol file: 5395-75-5.mol

Synonyms:3,6-Dithiaoctane;5395-75-5;1,2-Bis(ethylthio)ethane;1,2-Bis(ethylsulfanyl)ethane;Ethane, 1,2-bis(ethylthio)-;1,2-DIETHYL MERCAPTO ETHANE;EINECS 226-409-6;Dimethylenebis[ethyl sulfide];UNII-07DT8QJ745;Ethyl 2-(ethylthio)ethyl sulfide;07DT8QJ745;NSC-2283;NSC2283;Ethane,2-bis(ethylthio)-;1,2-bis-ethylsulfanyl-ethane;SCHEMBL779294;DTXSID0022226;1,2-Bis(ethylsulfanyl)ethane #;DCXDVGKTBDNYRX-UHFFFAOYSA-;NSC 2283;AKOS024332231;LS-184947;CS-0236098;FT-0614774;EN300-1688924;Q27236299

Chemical Property of 3,6-Dithiaoctane

Chemical Property:

• Vapor Pressure: 0.193mmHg at 25°C
• Melting Point: -77.24°C (estimate)
• Refractive Index: 1.5185 (estimate)
• Boiling Point: 217.7°Cat760mmHg
• Flash Point: 81.2°C
• PSA: 50.60000
• Density: 0.966g/cm³
• LogP: 2.49260
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.05369279
• Heavy Atom Count: 8
• Complexity: 31.5

Purity/Quality:

99% ^*data from raw suppliers

3,6-Dithiaoctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCCSCC

Technology Process of 3,6-Dithiaoctane

There total 27 articles about 3,6-Dithiaoctane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

ethyl iodide (75-03-6) + ethane-1,2-dithiol (540-63-6) → 1,2-bis(ethylthio)ethane (5395-75-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 23 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02059

Reference yield: 78.0%

Diethyl disulfide (110-81-6) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 1,2-bis(ethylthio)ethane (5395-75-5)

Guidance literature:

Diethyl disulfide; With sodium hydroxide; hydrazine hydrate; at 90 ℃;

1,2-dichloro-ethane; at 50 ℃; for 2h;

DOI:10.1023/A:1015397313038

Reference yield: 68.0%

1,2-dichloro-ethane (107-06-2,52399-93-6) + ethanethiol (75-08-1) → 1,2-bis(ethylthio)ethane (5395-75-5) + 2-Chloroethyl ethyl sulfide (693-07-2)

Guidance literature:

ethanethiol; With potassium hydroxide; hydrazine hydrate; for 1h;

1,2-dichloro-ethane; at 50 ℃; for 2h;

DOI:10.1023/A:1022540002086

upstream raw materials:

ethene

1,2-bis(ethylsulfinyl)ethane

diethyl sulfate

ethane-1,2-dithiol

Downstream raw materials:

tin(IV) fluoride

Mo2(μ-SPh)2Cl4(3,6-dithiaoctane)2

1,2-bis-ethanesulfonyl-ethane

Dimethylenbisethylphenacylsulfoniumbromid

Refernces

• 1、 Schevenels, Florian T.,Shen, Minxing,Snyder, Scott A.. "Alkyldisulfanium salts: Isolable, electrophilic sulfur reagents competent for polyene cyclizations". supporting information. p. 2 - 5. Retrieved 2017/11/27.
• 2、 Li, Jian-Rong,Ba, Xian-He,Jiao, Jiao,Du, Wen-Ping,Xu, Xiu-Hua,Zhang, Ruo-Hua. "Novel dithioether-silver(I) coordination architectures: Structural diversities by varying the spacers and terminal groups of ligands". . p. 464 - 474. Retrieved 2007/10/03.