Dodecane-2-thiol

Base Information

• Chemical Name: Dodecane-2-thiol
• CAS No.: 14402-50-7
• Molecular Formula: C12H26S
• Molecular Weight: 202.404
• Hs Code.: 2930909090
• European Community (EC) Number: 238-369-7
• DSSTox Substance ID: DTXSID30932188
• Nikkaji Number: J217.004C
• Mol file: 14402-50-7.mol

Synonyms:Dodecane-2-thiol;2-dodecanethiol;14402-50-7;EINECS 238-369-7;SCHEMBL867402;DTXSID30932188

Chemical Property of Dodecane-2-thiol

Chemical Property:

• Vapor Pressure: 0.0115mmHg at 25°C
• Melting Point: -17°C
• Refractive Index: 1.455
• Boiling Point: 270.3 °C at 760 mmHg
• PKA: 10.93±0.10(Predicted)
• Flash Point: 101 °C
• PSA: 38.80000
• Density: 0.839 g/cm³
• LogP: 4.83550
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 202.17552200
• Heavy Atom Count: 13
• Complexity: 91.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C)S

Technology Process of Dodecane-2-thiol

There total 5 articles about Dodecane-2-thiol 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:

1-dodecene (112-41-4,25067-08-7,62132-67-6) → 2-dodecanethiol (14402-50-7) + 1-dodecylthiol (112-55-0)

Guidance literature:

With hydrogen sulfide; at 37 - 40 ℃; under 19377.9 - 24032.3 Torr; UV-irradiation;

Reference yield:

2-bromododecane (13187-99-0) → 2-dodecanethiol (14402-50-7)

Guidance literature:

With methanol; sodium hydrogensulfide; isopropyl alcohol; at 130 ℃;

Reference yield:

1-dodecene (112-41-4,25067-08-7,62132-67-6) + hydrogen sulfide (7783-06-4) → 2-dodecanethiol (14402-50-7) + bis-(1-methyl-undecyl)-sulfane (50688-05-6)

Guidance literature:

In chloroform; at 10°C with (alkyl)AlCl2 catalyst;

upstream raw materials:

2-bromododecane

1-bromo dodecane

potassium thioacetate

1-dodecene

Refernces

• 1、 Ferraboschi, Patrizia,Fiecchi, Alberto,Grisenti, Paride,Santaniello, Enzo,Trave, Susanna. "POLYETHYLENE GLYCOLS AS SOLVENTS FOR ANIONIC ACTIVATION: SYNTHESIS OF THIOACETATES BY MEANS OF POTASSIUM THIOACETATE IN POLYETHYLENE GLYCOL 400". . p. 1569 - 1576. Retrieved 2007/10/02.