Thieno[2,3-c]pyridine-7(6H)-thione

Base Information

• Chemical Name: Thieno[2,3-c]pyridine-7(6H)-thione
• CAS No.: 104587-44-2
• Molecular Formula: C₇H₅NS₂
• Molecular Weight: 167.255
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20562791
• Nikkaji Number: J1.938.340G
• Wikidata: Q82447068
• Mol file: 104587-44-2.mol

Synonyms:Thieno[2,3-c]pyridine-7(6H)-thione;104587-44-2;6H-THIENO[2,3-C]PYRIDINE-7-THIONE;Thieno[2,3-c]pyridine-7(6H)-thione (9CI);SCHEMBL8180483;DTXSID20562791;JHQICVSZKZQLFP-UHFFFAOYSA-N;MFCD18836496;D85363

Chemical Property of Thieno[2,3-c]pyridine-7(6H)-thione

Chemical Property:

• PSA: 79.93000
• LogP: 2.58500
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.98634151
• Heavy Atom Count: 10
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=S)C2=C1C=CS2

Technology Process of Thieno[2,3-c]pyridine-7(6H)-thione

There total 3 articles about Thieno[2,3-c]pyridine-7(6H)-thione 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: 78.0%

7-chlorothieno<2,3-c>pyridine (28948-58-5) → thieno<2,3-c>pyridine-7(6H)-thione (104587-44-2)

Guidance literature:

With sodium hydrogensulfide; In N,N-dimethyl-formamide; at 110 - 115 ℃; for 3h;

DOI:10.1002/hlca.19900730402

Reference yield:

7-chlorothieno<2,3-c>pyridine (28948-58-5) + sodium hydrosulfide monohydrate → thieno<2,3-c>pyridine-7(6H)-thione (104587-44-2)

Guidance literature:

In N-methyl-acetamide; ice-water;

Reference yield:

thieno<2,3-c>pyridine 6-oxide (738544-01-9) → thieno<2,3-c>pyridine-7(6H)-thione (104587-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 581 g / POCl₃ / dioxane / 1) 10 min, 88 deg C, 2) 10 min, reflux

2: 78 percent / NaHS*H₂O / dimethylformamide / 3 h / 110 - 115 °C

With sodium hydrogensulfide; trichlorophosphate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1002/hlca.19900730402

upstream raw materials:

7-chlorothieno<2,3-c>pyridine

thieno<2,3-c>pyridine 6-oxide

Downstream raw materials:

2-phenylthiazolo<3,2-a>thieno<2,3-c>pyridin-4-ium 3-oxide

7-oxo-8-phenyl-7H-thieno<2,3-a>quinolizine-10-carboxylic acid

methyl 7-oxo-8-phenyl-7H-thieno<2,3-a>quinolizine-10-carboxylate

N-(2-methoxyethyl)-7-oxo-8-phenyl-7H-thieno<2,3-a>quinolizine-10-carboxamide

Refernces

• 1、 -. "Tricyclic pyridine derivatives and pharmaceutical compositions". . . Retrieved 2008/06/13.