N-(4-carbamothioylphenyl)acetamide

Base Information

• Chemical Name: N-(4-carbamothioylphenyl)acetamide
• CAS No.: 4714-68-5
• Molecular Formula: C9H10N2OS
• Molecular Weight: 194.257
• NSC Number: 18372
• DSSTox Substance ID: DTXSID60388210
• Nikkaji Number: J2.283.614E
• Mol file: 4714-68-5.mol

Synonyms:N-(4-carbamothioylphenyl)acetamide;4714-68-5;N-[4-(aminocarbonothioyl)phenyl]acetamide;NSC18372;p-acetamidobenzthioamide;p-Thiocarbamylacetanilide;4-(Acetylamino)thiobenzamide;SCHEMBL2306600;SCHEMBL13946519;DTXSID60388210;FHGLVCBKNBRMJM-UHFFFAOYSA-N;NSC 18372;NSC-18372;n-(4-thiocarbamoyl-phenyl)-acetamide;AKOS000198029;CS-0244927;EN300-29687;Z235361379

Chemical Property of N-(4-carbamothioylphenyl)acetamide

Chemical Property:

• Density: 1.302g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.05138412
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-carbamothioylphenyl)acetamide

There total 2 articles about N-(4-carbamothioylphenyl)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: 98.0%

N-(4-cyanophenyl)acetamide (35704-19-9) → N-[4-(aminocarbonothionyl)phenyl]acetamide (4714-68-5)

Guidance literature:

With sodium hydrogensulfide; diethyl amine hydrochloride; In 1,4-dioxane; water; at 55 ℃; for 6h;

DOI:10.1080/00397910500377099

Reference yield:

triethanolamine (102-71-6,64114-46-1) + N-(4-cyanophenyl)acetamide (35704-19-9) → N-[4-(aminocarbonothionyl)phenyl]acetamide (4714-68-5)

Guidance literature:

With hydrogen sulfide;

Reference yield:

2-benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-(1-bromo-2-oxoethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene + N-[4-(aminocarbonothionyl)phenyl]acetamide (4714-68-5) + methanesulfonyl chloride (124-63-0) → 3-[2-(4-acetamido-phenyl)-thiazol-5-yl]-2-benzhydryloxycarbonyl-7-t-butoxycarbonylamino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene

Guidance literature:

With triethylamine; In tetrahydrofuran; cyclohexane; ethyl acetate;

upstream raw materials:

triethanolamine

N-(4-cyanophenyl)acetamide

Downstream raw materials:

4-(4-methyl-thiazol-2-yl)-aniline

N-{4-[4-(4-amino-phenyl)-thiazol-2-yl]-phenyl}-acetamide

4-Acetamino-thiobenzamid-S-oxid

Methyl p-acetamidobenzthioimidate hydroiodide

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