as-Triazine, 5,6-diphenyl-3-(methylthio)-

Base Information

• Chemical Name: as-Triazine, 5,6-diphenyl-3-(methylthio)-
• CAS No.: 28735-33-3
• Molecular Formula: C16H13 N3 S
• Molecular Weight: 279.365
• Hs Code.: 2933699090
• DSSTox Substance ID: DTXSID20182897
• Nikkaji Number: J91.002C
• Wikidata: Q83053596
• ChEMBL ID: CHEMBL1163600
• Mol file: 28735-33-3.mol

Synonyms:28735-33-3;as-Triazine, 5,6-diphenyl-3-(methylthio)-;5,6-Diphenyl-3-(methylthio)-as-triazine;3-(methylthio)-5,6-diphenyl-1,2,4-triazine;3-(Methylsulfanyl)-5,6-diphenyl-1,2,4-triazine;BRN 0224206;3-methylsulfanyl-5,6-diphenyl-1,2,4-triazine;3-Methylthio-5,6-diphenyl-1,2,4-triazine;1,2,4-Triazine, 5,6-diphenyl-3-(methylthio)-;CBMicro_036639;ChemDiv2_004094;Cambridge id 5865401;3-Methylsulfanyl-5,6-diphenyl-[1,2,4]triazine;MLS000687373;DivK1c_005935;SCHEMBL2830170;CHEMBL1163600;DTXSID20182897;HMS1380K02;HMS2744N09;BBL028714;C16-H13-N3-S;CCG-43943;STK869240;AKOS000530826;CDS1_004895;IDI1_002809;NCGC00245481-01;SMR000285033;BIM-0036707.P001;LS-155411;5,6-Diphenyl-3-methylthio-1,2,4-triazine;CS-0316262;EU-0010118;FT-0725637;AB00099700-01;6W-0825;SR-01000633817-1;SR-01000633817-2;3-(Methylsulfanyl)-5,6-diphenyl-1,2,4-triazine #;F1252-0968

Chemical Property of as-Triazine, 5,6-diphenyl-3-(methylthio)-

Chemical Property:

• Vapor Pressure: 3.02E-08mmHg at 25°C
• Boiling Point: 461.1°Cat760mmHg
• Flash Point: 232.7°C
• PSA: 63.97000
• Density: 1.27g/cm³
• LogP: 3.92750
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 279.08301860
• Heavy Atom Count: 20
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

3-(METHYLSULFANYL)-5,6-DIPHENYL-1,2,4-TRIAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of as-Triazine, 5,6-diphenyl-3-(methylthio)-

There total 10 articles about as-Triazine, 5,6-diphenyl-3-(methylthio)- 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: 100.0%

→ 5,6-diphenyl-3-methylthio-1,2,4-triazine (28735-33-3)

Guidance literature:

With sodium hydrogencarbonate; In water; at 0 - 20 ℃; for 18h;

Reference yield: 96.0%

thiosemicarbazide (79-19-6) + benzil (134-81-6) + methyl iodide (74-88-4) → 5,6-diphenyl-3-methylthio-1,2,4-triazine (28735-33-3)

Guidance literature:

With 1,3-bis-n-butylimidazolium bromide; In dimethyl sulfoxide; at 70 ℃; for 0.25h; Solvent; Reagent/catalyst; Catalytic behavior;

DOI:10.1080/00397911.2014.891040

Reference yield: 90.0%

5,6-diphenyl-1,2,4-triazine-3-thiol (37469-24-2) + methyl iodide (74-88-4) → 5,6-diphenyl-3-methylthio-1,2,4-triazine (28735-33-3)

Guidance literature:

5,6-diphenyl-1,2,4-triazine-3-thiol; With sodium hydroxide; In ethanol; at 25 ℃; for 0.25h;

methyl iodide; In ethanol; at 25 ℃; for 4h;

DOI:10.1016/j.bioorg.2018.11.038

upstream raw materials:

5,6-diphenyl-4H-[1,2,4] triazine-3-thione

dimethyl sulfate

S-methyl isothiosemicarbazide hydroiodide

benzil

Downstream raw materials:

5,6-diphenyl-3-p-tolyloxy-[1,2,4]triazine

3-methoxy-5,6-diphenyl-[1,2,4]triazine

3-ethoxy-5,6-diphenyl-as-triazine

3-Isopropoxy-5,6-diphenyl-1,2,4-triazin