2-(Phenylamino)-2-thioxoacetamide

Base Information

• Chemical Name: 2-(Phenylamino)-2-thioxoacetamide
• CAS No.: 90345-46-3
• Molecular Formula: C8H8N2OS
• Molecular Weight: 180.23
• DSSTox Substance ID: DTXSID80388212
• Mol file: 90345-46-3.mol

Synonyms:2-(phenylamino)-2-thioxoacetamide;90345-46-3;Acetamide, 2-(phenylamino)-2-thioxo-;1-(PHENYLCARBAMOTHIOYL)FORMAMIDE;2-anilino-2-sulfanylideneacetamide;phenylthiooxamide;2-anilino-2-thioxoacetamide;2-anilino-2-thioxo-acetamide;SCHEMBL3073451;DTXSID80388212;STK669826;2-(2-Phenylamino)-2-thiooxacetamide;AKOS003245289

Chemical Property of 2-(Phenylamino)-2-thioxoacetamide

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 180.03573406
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(Phenylamino)-2-thioxoacetamide

There total 11 articles about 2-(Phenylamino)-2-thioxoacetamide 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: 75.0%

1,1-Dithiooxalsaeure-2-amid-1-S-methylester (65131-40-0) + aniline (62-53-3) → 2-(phenylamino)-2-thiooxoacetamide (90345-46-3)

Guidance literature:

In ethanol; for 0.05h; Heating;

Reference yield: 46.0%

aniline (62-53-3) + Chloroacetamide (79-07-2) → 2-(phenylamino)-2-thiooxoacetamide (90345-46-3)

Guidance literature:

aniline; With sulfur; In N,N-dimethyl-formamide; for 0.5h;

Chloroacetamide; In N,N-dimethyl-formamide; at 20 ℃; for 14h;

DOI:10.1016/j.dyepig.2019.107604

Reference yield:

phenyl-oxalamide (10543-64-3) → 2-(phenylamino)-2-thiooxoacetamide (90345-46-3)

Guidance literature:

Multi-step reaction with 3 steps

1: xylene; phosphorus pentasulfide

2: NaOH-solution

3: NaOH-solution

With diphosphorus pentasulfide; sodium hydroxide; xylene;

upstream raw materials:

N-Phenyldithiooxamide

1-cyanothioformanilide

1,1-Dithiooxalsaeure-2-amid-1-S-methylester

aniline

Downstream raw materials:

C₈H₁₀N₄O

phenyl-oxalamide

5-Chloromethyl-4-phenyl-4H-[1,2,4]triazole-3-carboxylic acid amide

benzothiazole-2-amide