N-(4-Thioureido-phenyl)-acetamide

Base Information

• Chemical Name: N-(4-Thioureido-phenyl)-acetamide
• CAS No.: 1614-33-1
• Molecular Formula: C9H11N3OS
• Molecular Weight: 209.272
• European Community (EC) Number: 673-854-0
• DSSTox Substance ID: DTXSID40375269
• Wikidata: Q82163796
• Mol file: 1614-33-1.mol

Synonyms:N-(4-Thioureido-phenyl)-acetamide;1614-33-1;N-[4-(carbamothioylamino)phenyl]acetamide;n-(4-thioureidophenyl)acetamide;SCHEMBL5458028;DTXSID40375269;BAA61433;MFCD04117346;AKOS005150563;NS-02323;N-(4-thioureido-phenyl)-acetamide, AldrichCPR;A919501

Chemical Property of N-(4-Thioureido-phenyl)-acetamide

Chemical Property:

• PSA: 99.24000
• LogP: 2.14680
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.06228316
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Thioureidophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC(=S)N

Technology Process of N-(4-Thioureido-phenyl)-acetamide

There total 8 articles about N-(4-Thioureido-phenyl)-acetamide 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: 100.0%

4-(N-acetylamino)phenyl isothiocyanate (35008-62-9) → N-(4-thioureidophenyl)acetamide (1614-33-1)

Guidance literature:

With ammonia; In ethanol; at 20 ℃;

DOI:10.3390/molecules25081772

Reference yield:

N-acetyl-p-phenylenediamine (122-80-5) → N-(4-thioureidophenyl)acetamide (1614-33-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NH₃ / anschliessendes Behandeln mit wss.CuSO₄

2: NH₃

With ammonium hydroxide; ammonia;

Reference yield:

1,4-phenylenediamine (106-50-3) → N-(4-thioureidophenyl)acetamide (1614-33-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid / Reflux

2.1: triethylamine / ethanol / 1 h / 20 °C

2.2: 2 h / 0 °C

3.1: ammonia / methanol / 1 h / 0 - 20 °C

With ammonia; acetic acid; triethylamine; In methanol; ethanol;

DOI:10.1016/j.ejmech.2015.08.020

upstream raw materials:

4-(N-acetylamino)phenyl isothiocyanate

N-acetyl-p-phenylenediamine

4-nitro-aniline

1,4-phenylenediamine

Downstream raw materials:

N-(4-((4-phenylthiazol-2-yl)amino)phenyl)acetamide

N-(4-((4-(3,4-dichlorophenyl)thiazol-2-yl)amino)phenyl)acetamide