3-(Methylsulfanyl)pyridazine

Base Information

• Chemical Name: 3-(Methylsulfanyl)pyridazine
• CAS No.: 21948-71-0
• Molecular Formula: C5H6 N2 S
• Molecular Weight: 126.182
• NSC Number: 158299
• DSSTox Substance ID: DTXSID00303422
• Wikidata: Q82048701
• Mol file: 21948-71-0.mol

Synonyms:21948-71-0;3-(Methylthio)pyridazine;3-(methylsulfanyl)pyridazine;NSC158299;3-methylthiopyridazine;starbld0012759;SCHEMBL2130159;DTXSID00303422;NSC 158299;NSC-158299

Chemical Property of 3-(Methylsulfanyl)pyridazine

Chemical Property:

• Vapor Pressure: 0.0046mmHg at 25°C
• Boiling Point: 286.2°Cat760mmHg
• Flash Point: 126.9°C
• Density: 1.19g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.02516937
• Heavy Atom Count: 8
• Complexity: 67.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NN=CC=C1

Technology Process of 3-(Methylsulfanyl)pyridazine

There total 3 articles about 3-(Methylsulfanyl)pyridazine 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: 71.0%

3-bromopyridazine (88491-61-6) + boron dimethyl-trifluoro sulphide (353-43-5) → 3-(methylthio)pyridazine (21948-71-0)

Guidance literature:

In neat (no solvent); at 60 ℃; for 16h; Sealed tube;

DOI:10.1002/ejoc.201900503

Reference yield:

3(2H)-pyridazinethione (28544-77-6) + methyl iodide (74-88-4) → 3-(methylthio)pyridazine (21948-71-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9590003789

Reference yield:

→ 3-(methylthio)pyridazine (21948-71-0)

Guidance literature:

3-Mercapto-pyridazin, Methyljodid, Natriumhydroxyd;

DOI:10.1039/jr9620003129

upstream raw materials:

3(2H)-pyridazinethione

methyl iodide

3-bromopyridazine

boron dimethyl-trifluoro sulphide

Downstream raw materials:

C₅H₈N₃S⁽¹⁺⁾*C₉H₁₁O₃S^(1-)

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