5-(Benzylsulfanylmethyl)imidazolidine-2,4-dione

Base Information

• Chemical Name: 5-(Benzylsulfanylmethyl)imidazolidine-2,4-dione
• CAS No.: 20210-01-9
• Molecular Formula: C11H12N2O2S
• Molecular Weight: 236.294
• Hs Code.: 2933990090
• NSC Number: 43152,43151
• DSSTox Substance ID: DTXSID60942290
• Nikkaji Number: J509.960I
• ChEMBL ID: CHEMBL325881
• Mol file: 20210-01-9.mol

Synonyms:5-(benzylsulfanylmethyl)imidazolidine-2,4-dione;20210-01-9;5-BzSMe hydantoin;6304-93-4;5-((Benzylthio)methyl)-2,4-imidazolidinedione;5-((Benzylthio)methyl)imidazolidine-2,4-dione;5-[(Benzylthio)methyl]-2,4-imidazolidinedione;NSC43152;CHEMBL325881;SCHEMBL6791929;DTXSID60942290;NSC43151;NSC-43151;NSC-43152;4-[(Benzylsulfanyl)methyl]-4H-imidazole-2,5-diol

Chemical Property of 5-(Benzylsulfanylmethyl)imidazolidine-2,4-dione

Chemical Property:

• PSA: 90.48000
• Density: 1.27g/cm³
• LogP: 1.04370
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.06194880
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSCC2C(=O)NC(=O)N2

Technology Process of 5-(Benzylsulfanylmethyl)imidazolidine-2,4-dione

There total 9 articles about 5-(Benzylsulfanylmethyl)imidazolidine-2,4-dione 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: 92.0%

phenylmethanethiol (100-53-8) + 5-methylenehydantoin (7673-65-6) → 5-<(benzylthio)methyl>-2,4-imidazolidinedione (20210-01-9)

Guidance literature:

With triethylamine; In methanol; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2011.09.034

Reference yield:

benzylsulfanylacetaldehyde (7401-37-8) + sodium cyanide (143-33-9,25596-52-5) → 5-<(benzylthio)methyl>-2,4-imidazolidinedione (20210-01-9)

Guidance literature:

With ethanol; ammonium carbonate; und anschliessenden Erhitzen mit wss.HCl;

DOI:10.1021/ja01177a086

Reference yield:

benzylmercaptoacetaldehyde dimethyl acetal (6304-94-5) → 5-<(benzylthio)methyl>-2,4-imidazolidinedione (20210-01-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₂SO₄

2: aqueous ethanol; 4>2CO₃ / und anschliessenden Erhitzen mit wss.HCl

With ethanol; sulfuric acid; ammonium carbonate;

DOI:10.1021/ja01177a086

upstream raw materials:

bis-((R)-2,5-dioxo-imidazolidin-4-ylmethyl)-disulfide

benzyl chloride

S-benzyl-L-cysteine ethyl ester hydrochloride

benzylsulfanylacetaldehyde