3-[(3-Hydroxypropyl)disulfanyl]-1-propanol

Base Information

• Chemical Name: 3-[(3-Hydroxypropyl)disulfanyl]-1-propanol
• CAS No.: 177854-95-4
• Molecular Formula: C₆H₁₄O₂S₂
• Molecular Weight: 182.308
• DSSTox Substance ID: DTXSID30470015
• Nikkaji Number: J313.258G
• Wikidata: Q82297972
• Mol file: 177854-95-4.mol

Synonyms:30453-21-5;3,3'-Disulfanediylbis(propan-1-ol);3-[(3-hydroxypropyl)disulfanyl]-1-propanol;177854-95-4;Bis-(3-hydroxypropyl)disulfide;3-(3-hydroxypropyldisulfanyl)propan-1-ol;MFCD01630941;C6H14O2S2;bis(3-hydroxypropyl)disulfide;dithiodipropanol;Bis(3-hydroxypropyl) persulfide;SCHEMBL331112;3,3'-disulfanediyldipropan-1-ol;DTXSID30470015;1-Propanol,2,2'-dithiobis-(9ci);3,3'-Disulfanediyldi(propan-1-ol);AKOS006276776;BS-44688;SY317602;CS-0162834;D70039;3,3 inverted exclamation mark -Disulfanediylbis(1-propanol)

Chemical Property of 3-[(3-Hydroxypropyl)disulfanyl]-1-propanol

Chemical Property:

• Boiling Point: 334.8 ºC at 760 mmHg
• Flash Point: 163 ºC
• PSA: 91.06000
• Density: 1.211 g/cm³
• LogP: 1.13260
• XLogP3: 0.3
• 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:

99% ^*data from raw suppliers

BIS-(3-HYDROXYPROPYL)DISULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)CSSCCCO

Technology Process of 3-[(3-Hydroxypropyl)disulfanyl]-1-propanol

There total 3 articles about 3-[(3-Hydroxypropyl)disulfanyl]-1-propanol 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:

2-hydroxypropyl methanethiolsulfonate → 1,1′-disulfanediylbis(propan-2-ol) (42589-21-9) + bis(2-hydroxyisopropyl) disulfide (33179-12-3,177854-95-4)

Guidance literature:

With water; at 25 ℃; Rate constant; Kinetics; Mechanism; pH 5; other pH, also labeled 14C-HPMTS;

DOI:10.1021/jf950722n

Reference yield:

C3H7OS(1-)*Na(1+) → 2,2'-dithiodipropanol (177854-95-4)

Guidance literature:

With tert.-butylhydroperoxide; In acetone; at 50 ℃; for 2h; Inert atmosphere;

Reference yield:

(+)-2,2'-dithiobispropionic acid (21793-77-1) → bis(2-hydroxyisopropyl) disulfide (33179-12-3,177854-95-4)

Guidance literature:

With diborane; In tetrahydrofuran;

DOI:10.1039/j39710002432

upstream raw materials:

(+)-2,2'-dithiobispropionic acid

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