6-Methyl-3-(methylthio)-1,2,4-triazine

Base Information

• Chemical Name: 6-Methyl-3-(methylthio)-1,2,4-triazine
• CAS No.: 42836-95-3
• Molecular Formula: C5H7N3S
• DSSTox Substance ID: DTXSID50500621
• Nikkaji Number: J3.630.307G
• Wikidata: Q82352367
• Mol file: 42836-95-3.mol

Synonyms:42836-95-3;6-Methyl-3-(methylthio)-1,2,4-triazine;6-METHYL-3-(METHYLSULFANYL)-1,2,4-TRIAZINE;6-Methyl-3-methylthio-1,2,4-triazine;6-methyl-3-methylsulfanyl-1,2,4-triazine;SCHEMBL844034;DTXSID50500621;AKOS015899923;SB73432;FT-0717201;EN300-6491771;A913478;Z1255500736

Chemical Property of 6-Methyl-3-(methylthio)-1,2,4-triazine

Chemical Property:

• Vapor Pressure: 0.0037mmHg at 25°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 141.03606841
• Heavy Atom Count: 9
• Complexity: 88.3

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N=N1)SC

Technology Process of 6-Methyl-3-(methylthio)-1,2,4-triazine

There total 6 articles about 6-Methyl-3-(methylthio)-1,2,4-triazine 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: 46.0%

hydrazinyl(methylthio)methanamine (1314931-57-1) + Pyruvic aldehyde dimethyl acetal (6342-56-9) → 6-methyl-3-methylsulphanyl-[1,2,4]triazine (42836-95-3)

Guidance literature:

In methanol; at 70 ℃; for 4h;

Reference yield:

S-methyl isothiosemicarbazide hydroiodide (35600-34-1) + 2-oxopropanal (78-98-8) → 5-methyl-3-(methylsulfanyl)-1,2,4-triazine (28735-24-2) + 6-methyl-3-methylsulphanyl-[1,2,4]triazine (42836-95-3)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; water; at 0 - 20 ℃; Title compound not separated from byproducts.;

DOI:10.1021/jm070078r

Reference yield:

5-chloro-6-methyl-3-(methylthio)-1,2,4-triazine (109307-02-0) → 6-methyl-3-methylsulphanyl-[1,2,4]triazine (42836-95-3)

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; at 0 - 5 ℃; for 1h;

upstream raw materials:

C₇H₁₅N₃O₂S

S-methyl isothiosemicarbazide hydroiodide

2-oxopropanal

hydrazinyl(methylthio)methanamine