2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine

Base Information

• Chemical Name: 2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine
• CAS No.: 15067-64-8
• Molecular Formula: C₁₁H₁₁N₃S₂
• Molecular Weight: 249.36
• DSSTox Substance ID: DTXSID20274822
• Nikkaji Number: J1.415.883I
• Wikidata: Q82004290
• Mol file: 15067-64-8.mol

Synonyms:15067-64-8;2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine;DTXSID20274822;IBMIUOUFFPDHPE-UHFFFAOYSA-N;2,4-Bis(methylthio)-6-phenyl-1,3,5-triazine;1,3,5-Triazine, 2,4-bis(methylthio)-6-phenyl-;2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine #

Chemical Property of 2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 1.29E-08mmHg at 25°C
• Boiling Point: 471.7°Cat760mmHg
• Flash Point: 239.1°C
• Density: 1.31g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 249.03943971
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=NC(=N1)C2=CC=CC=C2)SC

Technology Process of 2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine

There total 7 articles about 2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-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: 61.0%

4-methylthio-6-phenyl-1,3,5-triazin-2(1H)-thione (15998-30-8) + methyl iodide (74-88-4) → 2,4-bis(methylthio)-6-phenyl-1,3,5-triazine (15067-64-8)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 8h; Ambient temperature;

DOI:10.3987/COM-95-7374

Reference yield: 38.0%

2,4-Bis(methylthio)-6-phenyl-1,3,5-oxadiazinium-hexachloroantimonat(V) → 2,4-bis(methylthio)-6-phenyl-1,3,5-triazine (15067-64-8) + 2-Methylthio-4,6-diphenyl-1,3,5-triazin (735-69-3)

Guidance literature:

With ammonia;

Reference yield:

benzenecarbothioamide (2227-79-4) → 2,4-bis(methylthio)-6-phenyl-1,3,5-triazine (15067-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH (60percent in paraffin) 2.) 10percent HCl / 1.) benzene, N,N-dimethylacetamide, 24 h, RT 2.) 1 h

2: 61 percent / NaOH / dimethylsulfoxide / 8 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; sodium hydride; In dimethyl sulfoxide;

DOI:10.3987/COM-95-7374

upstream raw materials:

6-phenyl-1H-[1,3,5]triazine-2,4-dithione

methyl iodide

4-methylthio-6-phenyl-1,3,5-triazin-2(1H)-thione

benzenecarbothioamide

Downstream raw materials:

2-phenyl-1,3,5-triazine

2-methylthio-4-phenyl-6-phenylamino-1,3,5-triazine