Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide

Base Information

• Chemical Name: Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide
• CAS No.: 50309-49-4
• Molecular Formula: C15H19BrN4O3S
• Molecular Weight: 415.3054
• DSSTox Substance ID: DTXSID80964595
• Mol file: 50309-49-4.mol

Synonyms:Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide;1-Methyl-3-(2-isothioureidomethyl)phenobarbital hydrobromide;1-((Amidinothio)methyl)-5-ethyl-3-methyl-5-phenylbarbituric acid monohydrobromide;50309-49-4;C15H18N4O3S.BrH;DTXSID80964595;LS-23800;(5-Ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)methyl carbamimidothioate--hydrogen bromide (1/1)

Chemical Property of Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide

Chemical Property:

• Vapor Pressure: 3.3E-09mmHg at 25°C
• Boiling Point: 475.5°Cat760mmHg
• Flash Point: 241.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 414.03612
• Heavy Atom Count: 24
• Complexity: 533

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CSC(=N)N)C)C2=CC=CC=C2.Br

Technology Process of Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide

There total 1 articles about Barbituric acid, 1-((amidinothio)methyl)-5-ethyl-3-methyl-5-phenyl-, monohydrobromide 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-(5-Ethyl-3-methyl-2,4,6-trioxo-5-phenyl-tetrahydro-pyrimidin-1-ylmethyl)-isothiourea; hydrobromide (50309-49-4)

Guidance literature:

Barbitursaeure (11), Thioharnstoff;

DOI:10.1021/jm00264a005

Refernces