2,6-Pyridinedicarbothioic acid

Base Information

• Chemical Name: 2,6-Pyridinedicarbothioic acid
• CAS No.: 69945-42-2
• Molecular Formula: C7H5NO2S2
• Molecular Weight: 199.254
• UNII: KJ7K75Z4JS
• DSSTox Substance ID: DTXSID90436773
• Nikkaji Number: J1.156.049K
• Wikipedia: 2,6-Pyridinedicarbothioic_acid
• Wikidata: Q77369635
• Metabolomics Workbench ID: 114321
• Mol file: 69945-42-2.mol

Synonyms:pyridine-2,6-bis(thiocarboxylate);pyridine-2,6-bis(thiocarboxylic acid)

Chemical Property of 2,6-Pyridinedicarbothioic acid

Chemical Property:

• PSA: 121.08000
• LogP: 1.38510
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.97617075
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC(=C1)C(=O)S)C(=O)S

Technology Process of 2,6-Pyridinedicarbothioic acid

There total 3 articles about 2,6-Pyridinedicarbothioic acid 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: 100.0%

pyridinium pyridinium-2,6-dicarbothioate (88418-26-2) → pyridine-2,6-bis(monothiocarboxylic acid) (69945-42-2)

Guidance literature:

With sulfuric acid; In water; pH=1-2;

Reference yield: 70.0%

2,6-Pyridinedicarbonyl dichloride (3739-94-4) → pyridine-2,6-bis(monothiocarboxylic acid) (69945-42-2)

Guidance literature:

With hydrogenchloride; sodium hydrogen sulfide; In water; pH=1.8;

DOI:10.1021/ic301026b

Reference yield:

→ pyridine-2,6-bis(monothiocarboxylic acid) (69945-42-2)

Guidance literature:

entspr. Saeurechlorid, H2S;

DOI:10.1016/S0040-4039(01)85634-3

upstream raw materials:

pyridinium pyridinium-2,6-dicarbothioate

2,6-Pyridinedicarbonyl dichloride

Downstream raw materials:

(Pd(C₅H₃N(C(O)S)2))2

C₁₇H₁₃NO₃STi

[Ni₃(DMF)3(pyridine-2,6-dithiocarboxylate)3]*DMF