Sulnidazole

Base Information

• Chemical Name: Sulnidazole
• CAS No.: 51022-76-5
• Deprecated CAS: 65366-89-4
• Molecular Formula: C9H14 N4 O3 S
• Molecular Weight: 258.301
• Hs Code.: 2933290090
• UNII: 504LR309YV
• DSSTox Substance ID: DTXSID40199023
• Nikkaji Number: J10.284I
• Wikidata: Q27260753
• NCI Thesaurus Code: C73278
• ChEMBL ID: CHEMBL2107599
• Mol file: 51022-76-5.mol

Synonyms:Sulnidazole;51022-76-5;Sulnidazol;Sulnidazolum;UNII-504LR309YV;O-methyl N-[2-(2-ethyl-5-nitroimidazol-1-yl)ethyl]carbamothioate;Sulnidazole [USAN:INN];R 26,412;504LR309YV;R-26412;R 26412;O-Methyl (2-(2-ethyl-5-nitroimidazol-1-yl)ethyl)thiocarbamate;O-Methyl (2-(2-ethyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamothioate;O-Methyl [2-(2-ethyl-5-nitroimidazol-1-yl)ethyl]thiocarbamate;Carbamothioic acid, (2-(2-ethyl-5-nitro-1H-imidazol-1-yl)ethyl)-, O-methyl ester;Carbamothioic acid, [2-(2-ethyl-5-nitro-1H-imidazol-1-yl)ethyl]-, O-methyl ester;SULNIDAZOLE [INN];Sulnidazole (USAN/INN);SULNIDAZOLE [USAN];SCHEMBL666806;C9H14N4O3S;CHEMBL2107599;DTXSID40199023;CHEBI:177595;C9-H14-N4-O3-S;D05966;Q27260753

Chemical Property of Sulnidazole

Chemical Property:

• Vapor Pressure: 1.39E-07mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 429.6°Cat760mmHg
• PKA: 13.03±0.70(Predicted)
• Flash Point: 213.6°C
• PSA: 116.99000
• Density: 1.37g/cm³
• LogP: 1.78870
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.07866149
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

SULNIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]

Technology Process of Sulnidazole

There total 1 articles about Sulnidazole 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-(2-ethyl-5-nitro-imidazol-1-yl)-ethyl]-thiocarbamic acid O-methyl ester (51022-76-5)

Guidance literature:

entspr. 1-Aminoethylimidazol(*2HBr), entspr. Chlorthioameisensaeuremethylester;