2-Methylsulfanylmethylsulfanyl-nicotinic acid

Base Information

• Chemical Name: 2-Methylsulfanylmethylsulfanyl-nicotinic acid
• CAS No.: 864685-01-8
• Molecular Formula: C₈H₉NO₂S₂
• Molecular Weight: 215.297
• DSSTox Substance ID: DTXSID00590113
• Wikidata: Q82483785
• Mol file: 864685-01-8.mol

Synonyms:2-Methylsulfanylmethylsulfanyl-nicotinic acid;864685-01-8;2-(methylsulfanylmethylsulfanyl)pyridine-3-carboxylic acid;DTXSID00590113;2-{[(Methylsulfanyl)methyl]sulfanyl}pyridine-3-carboxylic acid

Chemical Property of 2-Methylsulfanylmethylsulfanyl-nicotinic acid

Chemical Property:

• PSA: 100.79000
• LogP: 2.19240
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 215.00747088
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

2-METHYLSULFANYLMETHYLSULFANYL-NICOTINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCSC1=C(C=CC=N1)C(=O)O

Technology Process of 2-Methylsulfanylmethylsulfanyl-nicotinic acid

There total 1 articles about 2-Methylsulfanylmethylsulfanyl-nicotinic 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: 6.1%

3-carboxy-2-mercaptopyridine (38521-46-9) + dimethyl sulfoxide (67-68-5,8070-53-9) → 2-(((methylthio)methyl)thio)nicotinic acid (864685-01-8)

Guidance literature:

dimethyl sulfoxide; With chloro-trimethyl-silane; In 1,4-dioxane; at 20 ℃; for 24h;

3-carboxy-2-mercaptopyridine; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1002/cbic.201900463

upstream raw materials:

3-carboxy-2-mercaptopyridine

dimethyl sulfoxide