Nithiazide

Base Information

• Chemical Name: Nithiazide
• CAS No.: 139-94-6
• Molecular Formula: C6H8 N4 O3 S
• Molecular Weight: 216.221
• Hs Code.: 2934100090
• European Community (EC) Number: 205-387-1
• UNII: G9PO1G721T
• DSSTox Substance ID: DTXSID1020936
• Nikkaji Number: J5.650B
• Wikidata: Q27156004
• ChEMBL ID: CHEMBL428786
• Mol file: 139-94-6.mol

Synonyms:1-ethyl-3-(5-nitro-2-thiazole)urea;Hepzide;nithiazid;nithiazide

Chemical Property of Nithiazide

Chemical Property:

• Melting Point: 228°C (rough estimate)
• Refractive Index: 1.6200 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 7.3(at 25℃)
• Flash Point: °C
• PSA: 128.08000
• Density: 1.518g/cm³
• LogP: 2.17980
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.03171130
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

N-Ethyl-N''-(5-nitro-2-thiazolyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-]
• Uses: N-Ethyl-N'-(5-nitro-2-thiazolyl)urea maintains therapeutic activity towards treatment of Salmonella typhimurium and B. fragilis infections due to the nitrothiazole moiety within the substructure. N-Ethyl-N''-(5-nitro-2-thiazolyl)urea maintains therapeutic activity towards treatment of Salmonella typhimurium and B. fragilis infections due to the nitrothiazole moiety within the substructure.

Technology Process of Nithiazide

There total 1 articles about Nithiazide 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:

→ 1-ethyl-3-(5-nitro-thiazol-2-yl)-urea (139-94-6)

Guidance literature:

/BRN= 210567/;

Reference yield:

N-benzyl-2-chloroacetamide (2564-06-9) + 1-ethyl-3-(5-nitro-thiazol-2-yl)-urea (139-94-6) → N-ethylcarbamoyl-N-(5-nitro-thiazol-2-yl)-glycine benzylamide (52121-23-0) + N-benzyl-2-(2-ethylcarbamoylimino-5-nitro-thiazol-3-yl)-acetamide (52121-24-1)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 2091813/;

DOI:10.1021/jm00248a014

Reference yield:

chloroacetylmethylamide (96-30-0) + 1-ethyl-3-(5-nitro-thiazol-2-yl)-urea (139-94-6) → N-ethylcarbamoyl-N-(5-nitro-thiazol-2-yl)-glycine methylamide (52121-03-6)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 1740634/;

DOI:10.1021/jm00248a014

Downstream raw materials:

1-[(2-ethylcarbamoylimino-5-nitro-thiazol-3-yl)-acetyl]-piperidine

2-(2-ethylcarbamoylimino-5-nitro-thiazol-3-yl)-acetamide

N-ethylcarbamoyl-N-(5-nitro-thiazol-2-yl)-glycine amide

N-ethylcarbamoyl-N-(5-nitro-thiazol-2-yl)-glycine methylamide