1,2-Bis(2-mercaptoethoxy)ethane

Base Information

• Chemical Name: 1,2-Bis(2-mercaptoethoxy)ethane
• CAS No.: 68865-60-1
• Molecular Formula: C₈H₁₈O₃S₂
• Molecular Weight: 226.361
• European Community (EC) Number: 239-044-2
• NSC Number: 94782
• UNII: 83CA1M23NC
• DSSTox Substance ID: DTXSID9044588
• Nikkaji Number: J38.158F
• Wikidata: Q27269426
• ChEMBL ID: CHEMBL3187655
• Mol file: 68865-60-1.mol

Synonyms:3,6-dioxa-1,8-octanedithiol;DODT cpd

Chemical Property of 1,2-Bis(2-mercaptoethoxy)ethane

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 182.04352203
• Heavy Atom Count: 10
• Complexity: 53.7

Purity/Quality:

98.00% ^*data from raw suppliers

Poly(ethylene glycol) dithiol (Mn 1500) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(COCCS)OCCS

Technology Process of 1,2-Bis(2-mercaptoethoxy)ethane

There total 10 articles about 1,2-Bis(2-mercaptoethoxy)ethane 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: 92.0%

triethylene glycol di-(p-toluenesulfonate) (19249-03-7) → 3,6-dioxa-1,8-octandithiol (14970-87-7,68865-60-1)

Guidance literature:

triethylene glycol di-(p-toluenesulfonate); With thiourea; In ethanol;

With sodium hydroxide; Heating;

Reference yield: 85.7%

1,2-bis-(2-bromo-ethoxy)-ethane (31255-10-4) → 3,6-dioxa-1,8-octandithiol (14970-87-7,68865-60-1)

Guidance literature:

With thiourea; In ethanol; for 3h; Reflux;

Reference yield: 79.0%

1,11-dichloro-3,6,9-trioxaundecane (638-56-2,27252-69-3) + imidazolidine-2-thiol (17198-23-1) → 1,11-dimercapto-3,6,9-trioxaundecane (2781-02-4,68865-60-1)

Guidance literature:

In water;

upstream raw materials:

1,2-bis(2-chloroethoxy)ethane

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

1,2-bis-(2-bromo-ethoxy)-ethane

triethylene glycol di-(p-toluenesulfonate)

Downstream raw materials:

[(μ-σ,π-PhCH=CPh)Fe2(CO)6]2[μ-SCH2(CH2OCH2)2CH2S-μ]

C₃₀H₃₉NO₄S₂