2454-39-9

Basic information

• Product Name: 2-AMINO-THIOBENZAMIDE
• Synonyms: 4-AMINO THIOBENZAMIDE 98.0%MIN;Thioanthranilamide;2-Aminothiobenzamide,98%;2-Aminobenzene-1-carbothioamide;2-Carbamothioylaniline, 2-Aminobenzenecarbothioamide;2-Aminobenzothioamide;2-AMINO-THIOBENZAMIDE
• CAS NO: 2454-39-9
• Molecular Formula: C₇H₈N₂S
• Molecular Weight: 152.22
• Mol File: 2454-39-9.mol
• Article Data: 13

Chemical Properties

• Melting Point: 120 °C
• Boiling Point: 318.8 °C at 760mmHg
• Flash Point: 146.6 °C
• Appearance: Light yellow to yellow crystalline powder
• Density: 1.286 g/cm³
• Vapor Pressure: 0.000353mmHg at 25°C
• Refractive Index: 1.719
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 12.51±0.29(Predicted)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 2-AMINO-THIOBENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-THIOBENZAMIDE(2454-39-9)
• EPA Substance Registry System: 2-AMINO-THIOBENZAMIDE(2454-39-9)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39-36/37
• Hazardous Substances Data: 2454-39-9(Hazardous Substances Data)

Usage

Description

2-AMINO-THIOBENZAMIDE is an organic compound with the chemical formula C7H7N3S. It is a light yellow to yellow crystalline powder and serves as an important organic intermediate in various industries.

Uses

Used in Chemical Synthesis:
2-AMINO-THIOBENZAMIDE is used as a chemical intermediate for the production of 2-trifluoromethyl-3H-quinazoline-4-thione. This synthesis process involves heating the compound in the presence of reagent molecular sieves and solvent CHCl3 for a reaction time of 2 hours.
Used in Agrochemicals:
2-AMINO-THIOBENZAMIDE is used as an intermediate in the agrochemical industry, contributing to the development of various agricultural chemicals that help in pest control, crop protection, and overall improvement of crop yield.
Used in Pharmaceuticals:
In the pharmaceutical industry, 2-AMINO-THIOBENZAMIDE is utilized as a key intermediate for the synthesis of various drugs. Its unique chemical structure allows it to be a building block in the development of new medications with potential therapeutic applications.
Used in Dyestuff:
The dyestuff industry also benefits from the use of 2-AMINO-THIOBENZAMIDE as an intermediate. It plays a role in the production of different types of dyes, which are essential for coloring fabrics, plastics, and other materials in various applications.

InChI:InChI=1/C7H8N2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)

Upstream product

• 1885-29-6 anthranilic acid nitrile 
• 100698-06-4 2-mercapto-2-thioxo-2,3-dihydro-1H-2λ⁵-benzo[1,3,2]diazaphosphinine-4-thione pyridinium salt 
• 100698-05-3 2,3-dihydro-2-mercapto-2,1,3-benzophosphadiazine-4(1H)-thione 2-sulphide 
• 7783-06-4 hydrogen sulfide 
• 7664-41-7 ammonia 
• 28144-70-9 anthranilic acid amide 
• 612-24-8 o-nitrobenzonitrile 

Downstream Products

• 6484-28-2 2-methyl-4(3H)-quinazolinethione 
• 69729-68-6 2-ethyl-3H-quinazoline-4-thione 
• 91760-82-6 2,2-dimethyl-2,3-dihydro-1H-quinazoline-4-thione 
• 2536-88-1 3H-benzo[1,2,3]triazine-4-thione 
• 37802-50-9 [2-(2-amino-phenyl)-4-oxo-4H-thiazol-5-ylidene]-acetic acid methyl ester 
• 793716-07-1 4-imino-1,4-dihydro-benzo[d][1,3]thiazine-2-thione 
• 33759-66-9 2-oxo-2,3-dihydro-1H-2λ⁴-benzo[1,2,6]thiadiazine-4-thione 
• 100698-06-4 2-mercapto-2-thioxo-2,3-dihydro-1H-2λ⁵-benzo[1,3,2]diazaphosphinine-4-thione pyridinium salt 
• 153076-83-6 2-methyl-1-oxo-5-thioxo-1,2,3,3a,4,5-hexahydropyrrolo<1,2-a>quinazoline 
• 37802-50-9 methyl 2-(2-aminophenyl)-4-oxo-1,3-thiazolin-5-ylideneacetate 
• 76164-70-0 Ethyl 3-(2-Thiocarbamoylanilino)methylene-2,4-dioxovalerate 
• 35982-23-1 2-(trifluoromethyl)-4(3H)-quinazolinethione 
• 124763-82-2 2-<3-(2-chloroethyl)ureido>thiobenzamide 
• 124763-83-3 2-<3-(3-Chloropropyl)ureido>thiobenzamide 

Relevant articles and documents

Anithiactins A-C, modified 2-phenylthiazoles from a mudflat-derived streptomyces sp.

Intensive investigation of the chemical components of a Streptomyces sp. isolated from mudflat sediments collected on the southern coast of the Korean peninsula led to the isolation of three new compounds, anithiactins A-C (1-3). The chemical structures of anithiactins A and C were determined by interpretation of NMR data analyses, while the chemical structure of anithiactin B was established from a combination of NMR spectroscopic and crystallographic data analyses. The structure of anithiactin A was also confirmed by total synthesis. These three anithiactins displayed moderate acetylcholinesterase inhibitory activity with no significant cytotoxicity.

3D-QSAR assisted identification of FABP4 inhibitors: An effective scaffold hopping analysis/QSAR evaluation

Following on the recent publication of pharmacologically relevant effects, small molecule inhibitors of adipocyte fatty-acid binding protein 4 (FABP4) have attracted high interest. FABP4 is mainly expressed in macrophages and adipose tissue, where it regulates fatty acid storage and lipolysis, being also an important mediator of inflammation. In this regard, FABP4 recently demonstrated an interesting molecular target for the treatment of type 2 diabetes, other metabolic diseases and some type of cancers. In the past years, hundreds of effective FABP4 inhibitors have been synthesized. In this paper, a quantitative structure-activity relationship (QSAR) model has been produced, in order to predict the bioactivity of FABP4 inhibitors. The methodology has been combined with a scaffold-hopping approach, allowing to identify three new molecules that act as effective inhibitors of this protein. These molecules, synthesized and tested for their FABP4 inhibitor activity, showed IC50 values between 3.70 and 5.59 μM, with a high level of agreement with the predicted values.

One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A

An annulation of arylthioamides with 3-bromopyruvic acid chloride to 5-hydroxy-4H-1,3-thiazin-4-ones has been developed. The initial condensation affords two regioisomeric thiazolinone intermediates in a temperature-dependent manner. The synthesis of the 2-aminophenylthiazinone derivative led to the revision of the previously proposed structure of thiasporine A. Synthesis of the revised structure and NMR analysis revealed that thiasporine A had been isolated as a carboxylate.