6-phenyl-1H-pyrimidine-2,4-dithione

Base Information

• Chemical Name: 6-phenyl-1H-pyrimidine-2,4-dithione
• CAS No.: 64247-58-1
• Molecular Formula: C10H8N2S2
• Molecular Weight: 220.31400
• DSSTox Substance ID: DTXSID00356751
• Wikidata: Q82136303
• Mol file: 64247-58-1.mol

Synonyms:6-phenyl-1H-pyrimidine-2,4-dithione;6-phenylpyrimidine-2,4(1H,3H)-dithione;64247-58-1;AG-670/15095002;HMS1586G02;DTXSID00356751;STL174744;AKOS003573844;AKOS005369382;6-phenyl-2-sulfanylpyrimidine-4(1H)-thione;6-PHENYL-2,4(1H,3H)-PYRIMIDINEDITHIONE

Chemical Property of 6-phenyl-1H-pyrimidine-2,4-dithione

Chemical Property:

• Melting Point: 255-259 °C
• Boiling Point: 357.2±45.0 °C(Predicted)
• PSA: 103.38000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 2.72100
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 220.01289061
• Heavy Atom Count: 14
• Complexity: 291

Purity/Quality:

6-PHENYL-1H-PYRIMIDINE-2,4-DITHIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-phenyl-1H-pyrimidine-2,4-dithione

There total 2 articles about 6-phenyl-1H-pyrimidine-2,4-dithione 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: 84.0%

6-phenyl-2-thiouracil (36822-11-4) → 6-phenylpyrimidine-2,4(1H,3H)-dithione (64247-58-1)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine; for 3h; Heating;

DOI:10.1071/CH9842093

Reference yield:

→ 6-phenylpyrimidine-2,4(1H,3H)-dithione (64247-58-1)

Guidance literature:

β-Imino-β-phenylpropionitril, CS2, in C6H6, RT;

Reference yield:

6-phenylpyrimidine-2,4(1H,3H)-dithione (64247-58-1) + n-Pentylamine (110-58-7) → 4-pentylamino-6-phenyl-1H-pyrimidine-2-thione

Guidance literature:

DOI:10.1021/ja01175a001

upstream raw materials:

6-phenyl-2-thiouracil

Downstream raw materials:

2,4-dihydrazino-6-phenyl-pyrimidine