1-Ethyl-4-(phenylthio)pyridinium iodide

Base Information

• Chemical Name: 1-Ethyl-4-(phenylthio)pyridinium iodide
• CAS No.: 63512-52-7
• Molecular Formula: C13H14INS
• Molecular Weight: 343.231
• European Community (EC) Number: 264-285-5
• DSSTox Substance ID: DTXSID10886615
• Mol file: 63512-52-7.mol

Synonyms:1-Ethyl-4-(phenylthio)pyridinium iodide;63512-52-7;Pyridinium, 1-ethyl-4-(phenylthio)-, iodide;EINECS 264-285-5;Pyridinium, 1-ethyl-4-(phenylthio)-, iodide (1:1);C13H14NS.I;DTXSID10886615;C13-H14-N-S.I

Chemical Property of 1-Ethyl-4-(phenylthio)pyridinium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 37.02000
• Density: g/cm³
• LogP: 0.18570
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 342.98917
• Heavy Atom Count: 16
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=CC=C(C=C1)SC2=CC=CC=C2.[I-]

Technology Process of 1-Ethyl-4-(phenylthio)pyridinium iodide

There total 3 articles about 1-Ethyl-4-(phenylthio)pyridinium iodide 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:

4-Chloropyridine (626-61-9) → 1-ethyl-4-phenylsulfanyl-pyridinium; iodide (63512-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 °C

DOI:10.1021/ja01291a064

Reference yield:

thiophenol (108-98-5) → 1-ethyl-4-phenylsulfanyl-pyridinium; iodide (63512-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 °C

DOI:10.1021/ja01291a064

Reference yield:

4-(phenylthio)pyridine (33399-48-3) + ethyl iodide (75-03-6) → 1-ethyl-4-phenylsulfanyl-pyridinium; iodide (63512-52-7)

Guidance literature:

DOI:10.1021/ja01291a064

upstream raw materials:

4-(phenylthio)pyridine

ethyl iodide

4-Chloropyridine

thiophenol

Downstream raw materials:

3-ethyl-5-(1-ethyl-1H-pyridin-4-ylidene)-2-thioxo-thiazolidin-4-one