3-MERCAPTO-6-METHYLPYRIDAZINE

Base Information

• Chemical Name: 3-MERCAPTO-6-METHYLPYRIDAZINE
• CAS No.: 5788-47-6
• Molecular Formula: C₅H₆N₂S
• Molecular Weight: 126.182
• DSSTox Substance ID: DTXSID30355752
• Wikidata: Q72488576
• Mol file: 5788-47-6.mol

Synonyms:3-Pyridazinethiol,6-methyl- (6CI,7CI,8CI); 3-Mercapto-6-methylpyridazine;6-Methyl-3-pyridazinethiol

Chemical Property of 3-MERCAPTO-6-METHYLPYRIDAZINE

Chemical Property:

• Vapor Pressure: 0.331mmHg at 25°C
• Melting Point: 202-205 °C
• Boiling Point: 427.7°Cat760mmHg
• PKA: 8.76±0.40(Predicted)
• Flash Point: 212.5°C
• Density: 1.23g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.02516937
• Heavy Atom Count: 8
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

6-methylpyridazine-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=S)C=C1

Technology Process of 3-MERCAPTO-6-METHYLPYRIDAZINE

There total 6 articles about 3-MERCAPTO-6-METHYLPYRIDAZINE 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:

3-chloro-6-methylpyridazine (1121-79-5) → 3-Mercapto-6-methyl-pyridazin (5788-47-6)

Guidance literature:

With thiourea; In ethanol;

Reference yield:

3-chloro-6-methylpyridazine (1121-79-5) → 6-Methylpyridazin-3-thion (5788-47-6)

Guidance literature:

With sodium hydrogensulfide; ethanol; at 150 ℃;

Reference yield:

6-Methylpyridazin-3(2H)-on (13327-27-0) → 6-Methylpyridazin-3-thion (5788-47-6)

Guidance literature:

With pyridine; tetraphosphorus decasulfide; for 2h; Reflux;

DOI:10.1021/ic102494k

upstream raw materials:

3-methyl-4,5-dihydro-6-oxopyridazine

3-chloro-6-methylpyridazine

6-Methylpyridazin-3(2H)-on

Downstream raw materials:

4-[(2-methyl-6-methylsulfanyl-2H-pyridazin-3-yliden)-ethylidene]-2-phenyl-4H-oxazol-5-one

3-methyl-6-(4-nitro-benzenesulfonyl)-pyridazine

3-methyl-6-(4-nitro-benzenesulfinyl)-pyridazine

3-methyl-6-(4-nitro-phenylsulfanyl)-pyridazine