1-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]thiourea

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]thiourea
• CAS No.: 403-35-0
• Molecular Formula: C14H11FN4O3S
• Molecular Weight: 334.32600
• DSSTox Substance ID: DTXSID501159839
• Mol file: 403-35-0.mol

Synonyms:N-(4-fluorophenyl)-2-(4-nitrobenzoyl)hydrazinecarbothioamide;N-(4-fluorophenyl)-2-{4-nitrobenzoyl}hydrazinecarbothioamide;1-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]thiourea;403-35-0;KXANHAOUPIEWIB-UHFFFAOYSA-N;DTXSID501159839;STK030578;AKOS000486475;AN-329/40396899;SR-01000357023;SR-01000357023-1;4-Nitrobenzoic acid 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide;N-(4-fluorophenyl)-2-[(4-nitrophenyl)carbonyl]hydrazinecarbothioamide

Chemical Property of 1-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]thiourea

Chemical Property:

• Melting Point: 190 °C (methanol)
• PSA: 131.07000
• LogP: 3.74330
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 334.05358956
• Heavy Atom Count: 23
• Complexity: 444

Purity/Quality:

95% ^*data from raw suppliers

N-(4-fluorophenyl)-2-(4-nitrobenzoyl)hydrazinecarbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NNC(=S)NC2=CC=C(C=C2)F)[N+](=O)[O-]

Technology Process of 1-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]thiourea

There total 2 articles about 1-(4-Fluorophenyl)-3-[(4-nitrobenzoyl)amino]thiourea 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:

4-nitro-benzoyl chloride (122-04-3) → 4-(4-fluoro-phenyl)-1-(4-nitro-benzoyl)-thiosemicarbazide (403-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / methanol / 6 h / Heating

2: ethanol / 3 h / Heating

With hydrazine hydrate; In methanol; ethanol;

DOI:10.1021/jm0495632

Reference yield:

N-amino-(4-nitrophenyl)carboxamide (636-97-5) + 4-fluorophenyl isothiocyanate (1544-68-9) → 4-(4-fluoro-phenyl)-1-(4-nitro-benzoyl)-thiosemicarbazide (403-35-0)

Guidance literature:

Reference yield: 38.0%

4-(4-fluoro-phenyl)-1-(4-nitro-benzoyl)-thiosemicarbazide (403-35-0) → (4-fluoro-phenyl)-[5-(4-nitro-phenyl)-[1,3,4]thiadiazol-2-yl]-amine

Guidance literature:

With sulfuric acid; at 20 ℃; for 0.5h;

DOI:10.1021/jm0495632

upstream raw materials:

N-amino-(4-nitrophenyl)carboxamide

4-fluorophenyl isothiocyanate

4-nitro-benzoyl chloride

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 403-35-0 Benzoic acid, 4-nitro-, 2-[[(4-fluorophenyl)amino]thioxomethyl]hydrazide

Send

Send

Metric Ton KG G Pound L ML

Send

Send