Pyridine, 3-(hexylthio)-

Base Information

• Chemical Name: Pyridine, 3-(hexylthio)-
• CAS No.: 100056-23-3
• Molecular Formula: C11H17NS
• Molecular Weight: 195.32400
• DSSTox Substance ID: DTXSID90447647
• Nikkaji Number: J1.716.311F
• Wikidata: Q82266521
• Mol file: 100056-23-3.mol

Synonyms:Pyridine, 3-(hexylthio)-;100056-23-3;3-hexylsulfanylpyridine;3-(Hexylsulfanyl)pyridine;Pyridine, 3-(hexylthio)- (6CI,9CI);3-(Hexylthio)pyridine;DTXSID90447647

Chemical Property of Pyridine, 3-(hexylthio)-

Chemical Property:

• PSA: 38.19000
• LogP: 3.75400
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 195.10817072
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSC1=CN=CC=C1

Technology Process of Pyridine, 3-(hexylthio)-

There total 3 articles about Pyridine, 3-(hexylthio)- 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: 97.0%

3-Chloropyridine (626-60-8) + Hexanethiol (111-31-9) → 3-hexylthiopyridine (100056-23-3)

Guidance literature:

With {[(t-Bu)2POH][(t-Bu)2P(O^(1-)]PdCl}2; sodium t-butanolate; In toluene; at 110 ℃;

DOI:10.1021/jo010764c

Reference yield: 93.0%

3-iodopyridine (1120-90-7) + Hexanethiol (111-31-9) → 3-hexylthiopyridine (100056-23-3)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In water; at 50 ℃; for 24h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1039/c2ob06795a

Reference yield:

pyridine-3-thiol (16133-26-9) + 1-Chlorohexane (544-10-5) → 3-hexylthiopyridine (100056-23-3)

Guidance literature:

With ethanol; sodium ethanolate;

upstream raw materials:

pyridine-3-thiol

1-Chlorohexane

3-Chloropyridine

Hexanethiol