3,6,9,12-Tetrathiatetradecane-1,14-diol

Base Information

• Chemical Name: 3,6,9,12-Tetrathiatetradecane-1,14-diol
• CAS No.: 99868-22-1
• Molecular Formula: C10H22O2S4
• Molecular Weight: 302.547
• European Community (EC) Number: 816-354-1
• DSSTox Substance ID: DTXSID90600972
• Nikkaji Number: J803.157F
• Wikidata: Q82497323

Synonyms:3,6,9,12-Tetrathiatetradecane-1,14-diol;99868-22-1;SCHEMBL9638413;DTXSID90600972;C10H22O2S4;AKOS033654003;2-[2-[2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanol;EN300-264641;Z1900095629

Chemical Property of 3,6,9,12-Tetrathiatetradecane-1,14-diol

Chemical Property:

• PSA: 141.66000
• LogP: 1.90380
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 302.05026463
• Heavy Atom Count: 16
• Complexity: 113

Purity/Quality:

97% ^*data from raw suppliers

3,6,9,12-Tetrathiatetradecane-1,14-diol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSCCSCCSCCSCCO)O

Technology Process of 3,6,9,12-Tetrathiatetradecane-1,14-diol

There total 8 articles about 3,6,9,12-Tetrathiatetradecane-1,14-diol 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: 74.0%

3,6-dithiaoctan-1,8-dithiol (25423-55-6) + 2-chloro-ethanol (107-07-3) → 3,6,9,12-tetrathia-1,14-tetradecanediol (99868-22-1)

Guidance literature:

With sodium; In ethanol; at 60 ℃; for 4h;

DOI:10.1039/c7ra13589k

Reference yield: 69.0%

C10H18O2S4 → 3,6,9,12-tetrathia-1,14-tetradecanediol (99868-22-1)

Guidance literature:

With monochloroborane dimethyl sulfide complex;

DOI:10.1016/S0040-4020(98)00563-8

Reference yield:

1,2-bis(2-chloroethylthio)ethane (3563-36-8) → 2,2'-ethane-1,2-diylbissulfanyl-bis-ethanol (5244-34-8) + 3,6,9,12-tetrathia-1,14-tetradecanediol (99868-22-1)

Guidance literature:

upstream raw materials:

1,2-bis(2-chloroethylthio)ethane

2-hydroxyethanethiol

water

3,6-dithiaoctan-1,8-dithiol

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