6-Phenyl-S-triazine-2,4-dithiol

Base Information

• Chemical Name: 6-Phenyl-S-triazine-2,4-dithiol
• CAS No.: 30886-13-6
• Molecular Formula: C₉H₇N₃S₂
• Molecular Weight: 221.307
• NSC Number: 280615
• DSSTox Substance ID: DTXSID60388770
• Nikkaji Number: J1.415.882K
• Mol file: 30886-13-6.mol

Synonyms:NSC280615;30886-13-6;Sc1nc(S)nc(n1)c2ccccc2;SCHEMBL3391162;SCHEMBL23076179;DTXSID60388770;NSC-280615;6-PHENYL-S-TRIAZINE-2,4-DITHIOL

Chemical Property of 6-Phenyl-S-triazine-2,4-dithiol

Chemical Property:

• Vapor Pressure: 0.000225mmHg at 25°C
• Boiling Point: 325.8°C at 760 mmHg
• Flash Point: 150.8°C
• Density: 1.45g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.00813958
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=S)NC(=S)N2

Technology Process of 6-Phenyl-S-triazine-2,4-dithiol

There total 4 articles about 6-Phenyl-S-triazine-2,4-dithiol 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:

2,4-dichloro-6-phenyl-1,3,5-triazine (1700-02-3) → 6-phenyl-1H-[1,3,5]triazine-2,4-dithione (30886-13-6)

Guidance literature:

With potassium hydrosulfide;

DOI:10.1039/jr9550000803

Reference yield:

phenylmagnesium bromide → 6-phenyl-1H-[1,3,5]triazine-2,4-dithione (30886-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: NaHS

With sodium hydrogensulfide; diethyl ether;

Reference yield:

6-phenyl-1,3,5-triazine-2,4(1H,3H)-dione (7459-63-4) → 6-phenyl-1H-[1,3,5]triazine-2,4-dithione (30886-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: KHS

With potassium hydrosulfide; trichlorophosphate;

DOI:10.1039/jr9550000803

upstream raw materials:

2,4-dichloro-6-phenyl-1,3,5-triazine

2,4-Dithiobiuret

benzoyl chloride

6-phenyl-1,3,5-triazine-2,4(1H,3H)-dione

Downstream raw materials:

2,4-bis(methylthio)-6-phenyl-1,3,5-triazine

1⁶,4⁶,7⁶-triphenyl-2,3,5,7,8,9-hexathia-1,3,5(2,4)-tris-[1,3,5]triazina-cyclononaphane