3-Methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine

Base Information

• Chemical Name: 3-Methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
• CAS No.: 42836-88-4
• Molecular Formula: C8H8N6S2
• Molecular Weight: 252.3193
• NSC Number: 186766
• DSSTox Substance ID: DTXSID80307069
• Nikkaji Number: J1.314.899F
• Wikidata: Q82054401
• ChEMBL ID: CHEMBL1255618
• Mol file: 42836-88-4.mol

Synonyms:42836-88-4;3-methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine;NSC186766;3,3'-bis(methylsulfanyl)-5,5'-bi-1,2,4-triazine;CHEMBL1255618;SCHEMBL11631291;DTXSID80307069;NSC-186766;AE-848/01008062

Chemical Property of 3-Methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 252.02518663
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=CN=N1)C2=CN=NC(=N2)SC

Technology Process of 3-Methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine

There total 1 articles about 3-Methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-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: 30.0%

3-methoxy-[1,2,4]triazine (28735-22-0) + 3-methylthio-1,2,4-triazine (28735-21-9) → 3,3'-bis(methoxy)-5,5'-bi-1,2,4-triazine (42836-87-3) + 3,3'-bis(methylsulfanyl)-5,5'-bi-1,2,4-triazine (42836-88-4) + 3-methoxy-5-(3-methylthio-1,2,4-triazin-5-yl-)-1,2,4-triazine (68943-85-1)

Guidance literature:

With potassium cyanide; In water; at 40 ℃;

DOI:10.1016/j.bmcl.2010.08.065

Reference yield: 70.0%

1-pyrrolidino-1-cycloheptene (14092-11-6) + 3,3'-bis(methylsulfanyl)-5,5'-bi-1,2,4-triazine (42836-88-4) → 1,1'-bis-methylsulfanyl-6,7,8,9,6',7',8',9'-octahydro-5H,5'H-[3,3']bi[cyclohepta[c]pyridinyl] (287102-78-7)

Guidance literature:

at 130 - 180 ℃;

DOI:10.1016/S0040-4039(00)00436-6

upstream raw materials:

3-methoxy-[1,2,4]triazine

3-methylthio-1,2,4-triazine

Downstream raw materials:

1,1'-bis-methylsulfanyl-6,7,8,9,6',7',8',9'-octahydro-5H,5'H-[3,3']bi[cyclohepta[c]pyridinyl]