5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one

Base Information

• Chemical Name: 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
• CAS No.: 72812-45-4
• Molecular Formula: C4H3 Br N2 O S
• Molecular Weight: 207.0484
• DSSTox Substance ID: DTXSID60404202
• NSC Number: 46966
• Mol file: 72812-45-4.mol

Synonyms:72812-45-4;5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one;5-bromo-4-sulfanylidene-1H-pyrimidin-2-one;NSC46966;5-bromo-4-thiouracil;DTXSID60404202;NSC-46966;5-bromo-4-thioxo-3,4-dihydropyrimidin-2(1H)-one;2(1H)-pyrimidinone, 5-bromo-3,4-dihydro-4-thioxo-;InChI=1/C4H3BrN2OS/c5-2-1-6-4(8)7-3(2)9/h1H,(H2,6,7,8,9

Chemical Property of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one

Chemical Property:

• PSA: 80.74000
• Density: 2.05g/cm³
• LogP: 1.19500
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 205.91495
• Heavy Atom Count: 9
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=S)NC(=O)N1)Br

Technology Process of 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one

There total 1 articles about 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one 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: 95.0%

5-bromouracil (51-20-7) → 5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (72812-45-4)

Guidance literature:

With diphosphorus pentasulfide; sodium hydrogencarbonate; In diethylene glycol dimethyl ether; at 110 ℃; for 2h;

DOI:10.1055/s-1987-27906

upstream raw materials:

5-bromouracil