1-Pentadecanethiol

Base Information

• Chemical Name: 1-Pentadecanethiol
• CAS No.: 25276-70-4
• Molecular Formula: C15H32S
• Molecular Weight: 244.485
• Hs Code.: 2930909090
• European Community (EC) Number: 246-785-5
• DSSTox Substance ID: DTXSID00179922
• Nikkaji Number: J97.160J
• Wikidata: Q72499697
• Mol file: 25276-70-4.mol

Synonyms:1-Pentadecanethiol;25276-70-4;Pentadecane-1-thiol;n-Pentadecyl Mercaptan;Pentadecyl Mercaptan;N-PENTADECYLMERCAPTAN;EINECS 246-785-5;1-Pentadecanethiol, >=97%;SCHEMBL133113;DTXSID00179922;MFCD00059147;AKOS028108541;FT-0757822;P0836;T72169;J-015903

Chemical Property of 1-Pentadecanethiol

Chemical Property:

• Vapor Pressure: 0.000559mmHg at 25°C
• Melting Point: 17.78°C
• Refractive Index: n20/D 1.462(lit.)
• Boiling Point: 321.5 °C at 760 mmHg
• PKA: 10.49±0.10(Predicted)
• Flash Point: 128.9 °C
• PSA: 38.80000
• Density: 0.842 g/cm³
• LogP: 6.00740
• Storage Temp.: -20°C, Inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 244.22247219
• Heavy Atom Count: 16
• Complexity: 112

Purity/Quality:

99%min ^*data from raw suppliers

1-Pentadecanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: CCCCCCCCCCCCCCCS

Technology Process of 1-Pentadecanethiol

There total 2 articles about 1-Pentadecanethiol 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:

C17H34OS → 1-pentadecanethiol (25276-70-4)

Guidance literature:

With hydrogenchloride; In methanol; water; at 60 ℃;

DOI:10.1021/jacs.0c00907

Reference yield:

pentadecyl bromide (629-72-1) → 1-pentadecanethiol (25276-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 80 °C / Inert atmosphere

2: hydrogenchloride / water; methanol / 60 °C

With hydrogenchloride; In tetrahydrofuran; methanol; water;

DOI:10.1021/jacs.0c00907

Reference yield: 34.0%

1-pentadecanethiol (25276-70-4) + 4-chlorobenzonitrile (100-00-5) → 1-nitro-4-pentadecylsulfanyl-benzene

Guidance literature:

1-pentadecanethiol; With copper; potassium carbonate; In N,N-dimethyl-formamide; for 0.25h;

4-chlorobenzonitrile; In N,N-dimethyl-formamide; at 150 ℃;

DOI:10.1016/j.farmac.2004.03.001

upstream raw materials:

pentadecyl bromide

Downstream raw materials:

n-Pentadecylthiomyristat

Refernces