Bis(6-hydroxyhexyl)disulfide

Base Information

• Chemical Name: Bis(6-hydroxyhexyl)disulfide
• CAS No.: 80901-86-6
• Molecular Formula: C12H26O2S2
• Molecular Weight: 266.469
• DSSTox Substance ID: DTXSID20445818
• Nikkaji Number: J700.636E
• Mol file: 80901-86-6.mol

Synonyms:80901-86-6;BIS-(6-HYDROXYHEXYL)DISULFIDE;6-(6-hydroxyhexyldisulfanyl)hexan-1-ol;BIS(6-HYDROXYHEXYL)DISULFIDE;6,6'-disulfanediyldihexan-1-ol;6,6'-Dithiobis(1-hexanol);bis(6-hydroxyhexyl) disulfide;SCHEMBL2458373;DTXSID20445818;6,6'-DISULFANEDIYLBIS(HEXAN-1-OL);E79777

Chemical Property of Bis(6-hydroxyhexyl)disulfide

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 266.13742241
• Heavy Atom Count: 16
• Complexity: 110

Purity/Quality:

≥99.0% ^*data from raw suppliers

BIS-(6-HYDROXYHEXYL)DISULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCSSCCCCCCO)CCO

Technology Process of Bis(6-hydroxyhexyl)disulfide

There total 4 articles about Bis(6-hydroxyhexyl)disulfide 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: 100.0%

6-mercapto-1-hexanol (1633-78-9) → 6,6’-disulfanediylbis(hexan-1-ol) (80901-86-6)

Guidance literature:

With iodine; trimethylamine; In methanol;

DOI:10.1021/jacs.9b05671

Reference yield: 85.0%

6-thiocyanatohexan-1-ol (98435-52-0) → 6,6’-disulfanediylbis(hexan-1-ol) (80901-86-6)

Guidance literature:

With benzyltriethylammonium tetrathiomolybdate; In acetonitrile; at 25 ℃; for 15h;

DOI:10.1021/jo00127a017

Reference yield: 28.0%

1-bromo-6-hexanol (4286-55-9) → 6,6’-disulfanediylbis(hexan-1-ol) (80901-86-6)

Guidance literature:

1-bromo-6-hexanol; With thiourea; In ethanol; at 70 ℃; for 30h; Reflux;

With sodium hydroxide; In ethanol; water; at 50 ℃; for 24h; Reflux;

upstream raw materials:

6-thiocyanatohexan-1-ol

6-mercapto-1-hexanol

1-bromo-6-hexanol

Downstream raw materials:

C₁₀₀H₁₀₂O₆

C₁₀₀H₁₀₂O₆

C₁₃H₂₀OS₂

C₄₂H₆₁N₂O₅PS₂