Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt

Base Information

• Chemical Name: Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt
• CAS No.: 67943-66-2
• Molecular Formula: C13H13NS2
• Molecular Weight: 247.379
• NSC Number: 273908
• DSSTox Substance ID: DTXSID30987335
• Wikidata: Q82975560
• ChEMBL ID: CHEMBL538350

Synonyms:67943-66-2;Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt;CHEMBL538350;DTXSID30987335;NSC273908;NSC 273908;NSC-273908;Quinolinium,6-dimethyl-, hydroxide, inner salt;(1,6-Dimethylquinolin-1-ium-2-yl)ethane(dithioate)

Chemical Property of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt

Chemical Property:

• Vapor Pressure: 2.34E-06mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 35.97000
• Density: g/cm³
• LogP: 2.38950
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.04894177
• Heavy Atom Count: 16
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)[N+](=C(C=C2)CC(=S)[S-])C

Technology Process of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt

There total 2 articles about Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt 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:

carbon disulfide (75-15-0,12122-00-8) + 1,2,6-trimethylquinolin-1-ium iodide (31385-19-0) → C13H13NS2 (67943-66-2)

Guidance literature:

With sodium hydroxide; Multistep reaction; 1.) toluene, 1 h, 2.) 25 deg C;

DOI:10.1002/jps.2600690434

Reference yield:

→ C13H13NS2 (67943-66-2)

Guidance literature:

entspr. Methoiodid, CS2, NaOH;

DOI:10.1002/jps.2600670724

Reference yield:

C13H13NS2 (67943-66-2) + methyl iodide (74-88-4) → 2-bis(2-methylthio)vinyl-1,6-dimethylquinolinium iodide

Guidance literature:

In N,N-dimethyl-formamide; at 25 ℃;

DOI:10.1002/jps.2600690434

upstream raw materials:

carbon disulfide

1,2,6-trimethylquinolin-1-ium iodide

Downstream raw materials:

1,6-dimethyl-2-<2-methylthio-2-(1-morpholino)vinyl>quinolinium iodide

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