5-((Dimethylamino)methylene)-2-thioxo-4-imidazolidinone

Base Information

• Chemical Name: 5-((Dimethylamino)methylene)-2-thioxo-4-imidazolidinone
• CAS No.: 128365-97-9
• Molecular Formula: C₆H₉N₃OS
• Molecular Weight: 171.223
• NSC Number: 169039
• Nikkaji Number: J1.820.932B
• Wikidata: Q76279738
• Mol file: 128365-97-9.mol

Synonyms:BRN 4310367;4-(N,N-Dimethylaminomethylene)thiohydantoin-2;4-Imidazolidinone, 5-((dimethylamino)methylene)-2-thioxo-;128365-97-9;5-((Dimethylamino)methylene)-2-thioxo-4-imidazolidinone;NSC169039;NSC-169039;LS-79455;(Z)-5-[(Dimethylamino)methylene]-2-thioxoimidazolidine-4-one

Chemical Property of 5-((Dimethylamino)methylene)-2-thioxo-4-imidazolidinone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.34g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.04663309
• Heavy Atom Count: 11
• Complexity: 234

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C=C1C(=O)NC(=S)N1
• Isomeric SMILES: CN(C)/C=C\1/C(=O)NC(=S)N1

Technology Process of 5-((Dimethylamino)methylene)-2-thioxo-4-imidazolidinone

There total 2 articles about 5-((Dimethylamino)methylene)-2-thioxo-4-imidazolidinone 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-thiohydantoin (503-87-7) + N,N-dimethylformamide diethyl diacetal (1188-33-6) → 4-(N,N-dimethylaminomethylene)-2-thiohydantoin (128365-97-9)

Guidance literature:

In N,N-dimethyl-formamide; at 80 - 85 ℃; for 1.33333h;

DOI:10.1007/BF00764413

Reference yield:

1-acetyl-2-thiohydantoin (584-26-9) + N,N-dimethylformamide diethyl diacetal (1188-33-6) → 4-(N,N-dimethylaminomethylene)-2-thiohydantoin (128365-97-9)

Guidance literature:

In ethanol; for 0.833333h; Ambient temperature;

DOI:10.1007/BF00764413

upstream raw materials:

2-thiohydantoin

N,N-dimethylformamide diethyl diacetal

1-acetyl-2-thiohydantoin