2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine

Base Information

• Chemical Name: 2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine
• CAS No.: 30863-82-2
• Molecular Formula: C21H15 N3 S3
• Molecular Weight: 405.568
• NSC Number: 669394
• DSSTox Substance ID: DTXSID80275335
• Nikkaji Number: J1.615.332J
• Wikidata: Q82005102
• ChEMBL ID: CHEMBL1998443
• Mol file: 30863-82-2.mol

Synonyms:2,4,6-tris-phenylsulfanyl-[1,3,5]triazine;30863-82-2;NSC669394;2,4,6-tris(phenylsulfanyl)-1,3,5-triazine;CHEMBL1998443;DTXSID80275335;NSC-669394;NCI60_024209;2,4,6-TRIS(PHENYLTHIO)-S-TRIAZINE

Chemical Property of 2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 8.78E-16mmHg at 25°C
• Boiling Point: 644.3°Cat760mmHg
• Flash Point: 343.4°C
• Density: 1.4g/cm³
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 405.04281101
• Heavy Atom Count: 27
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=NC(=NC(=N2)SC3=CC=CC=C3)SC4=CC=CC=C4

Technology Process of 2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine

There total 3 articles about 2,4,6-Tris(phenylsulfanyl)-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: 96.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + thiophenol (108-98-5) → 2,4,6-tris(phenylthio)-1,3,5-triazine (30863-82-2)

Guidance literature:

1,3,5-trichloro-2,4,6-triazine; With (1,3,5-triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate; palladium diacetate; In N,N-dimethyl-formamide; for 0.0833333h; Schlenk technique; Inert atmosphere;

thiophenol; With potassium phosphate; In N,N-dimethyl-formamide; at 50 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.9b00840

Reference yield:

2-Benzenesulfinyl-4,6-bis-phenylsulfanyl-[1,3,5]triazine → diphenyl sulfide (139-66-2) + 2,4,6-tris(phenylthio)-1,3,5-triazine (30863-82-2) + 2,2-oxybis<4,6-bis(phenylthio)-1,3,5-triazine>

Guidance literature:

In toluene; at 110 ℃;

Reference yield:

1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2,4,6-tris(phenylthio)-1,3,5-triazine (30863-82-2)

Guidance literature:

With ethanol;

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

thiophenol

Downstream raw materials:

cyanuric acid

Methyl benzenesulfonate

diphenyl sulfide

thiophenol

Refernces

• 1、 H?hne, Carl-Christoph,Posern, Christian,B?hme, Uwe,Kroke, Edwin. "Sulfides and Disulfides of s-Triazine: Potential Thermal Thiyl Radical Generators". . p. 13596 - 13606. Retrieved 2018/09/19.
• 2、 Mandal, Soma,Berube, Gervais,Asselin, Eric,Mohammad, Iqbal,Richardson, Vernon J.,Gupta, Atul,Pramanik, Saroj K.,Williams, Arthur L.,Mandal, Sanat K.. "A novel series of potent cytotoxic agents targeting G2/M phase of the cell cycle and demonstrating cell killing by apoptosis in human breast cancer cells". . p. 4955 - 4960. Retrieved 2008/02/12.