5-Benzylsulfanyl-5-hydroxy-1,3-diazinane-2,4,6-trione

Base Information

• Chemical Name: 5-Benzylsulfanyl-5-hydroxy-1,3-diazinane-2,4,6-trione
• CAS No.: 7472-19-7
• Molecular Formula: C₁₁H₁₀N₂O₄S
• Molecular Weight: 266.277
• NSC Number: 402279
• DSSTox Substance ID: DTXSID40322910
• Wikidata: Q82081691
• Mol file: 7472-19-7.mol

Synonyms:7472-19-7;NSC 402279;NSC402279;5-benzylsulfanyl-5-hydroxy-1,3-diazinane-2,4,6-trione;DTXSID40322910;NSC-402279

Chemical Property of 5-Benzylsulfanyl-5-hydroxy-1,3-diazinane-2,4,6-trione

Chemical Property:

• Density: 1.54g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.03612798
• Heavy Atom Count: 18
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2(C(=O)NC(=O)NC2=O)O

Technology Process of 5-Benzylsulfanyl-5-hydroxy-1,3-diazinane-2,4,6-trione

There total 1 articles about 5-Benzylsulfanyl-5-hydroxy-1,3-diazinane-2,4,6-trione 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:

5,5-dihydroxy-pyrimidine-2,4,6-trione (3237-50-1) + phenylmethanethiol (100-53-8) → 5-benzylmercapto-5-hydroxy-barbituric acid (7472-19-7)

Guidance literature:

With 1,4-dioxane; hydrogenchloride;

DOI:10.1021/ja01877a025

upstream raw materials:

5,5-dihydroxy-pyrimidine-2,4,6-trione

phenylmethanethiol