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3-nitrobenzenecarbothioic S-acid, also known as 3-nitrophenyl thiocarboxylic acid, is a chemical compound characterized by the molecular formula C7H5NO4S. It presents as a yellow to brown solid with limited solubility in water. 3-nitrobenzenecarbothioic S-acid is recognized for its strong odor and should be handled cautiously due to its potential irritant and harmful properties.

5416-00-2

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5416-00-2 Usage

Uses

Used in Pharmaceutical Industry:
3-nitrobenzenecarbothioic S-acid is utilized as a reagent in the synthesis of various organic compounds, particularly in the pharmaceutical sector. It plays a crucial role in the development of new drugs and the modification of existing ones, contributing to the advancement of medicinal chemistry.
Used in Dye Industry:
In the dye industry, 3-nitrobenzenecarbothioic S-acid is employed as a reagent for the production of dyes. Its chemical properties allow for the creation of a range of colorants used in various applications, including textiles, plastics, and printing inks.
Used in Agrochemical Industry:
3-nitrobenzenecarbothioic S-acid also finds application in the agrochemical industry, where it is used in the synthesis of compounds that contribute to the development of pesticides and other agricultural chemicals. This helps in enhancing crop protection and management strategies.
Used in the Preparation of Thiocarboxylic Acids and Derivatives:
3-nitrobenzenecarbothioic S-acid serves as a reagent in the preparation of thiocarboxylic acids and their derivatives. These compounds have diverse applications across various industries, including as intermediates in chemical synthesis and in the production of specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 5416-00-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,1 and 6 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5416-00:
(6*5)+(5*4)+(4*1)+(3*6)+(2*0)+(1*0)=72
72 % 10 = 2
So 5416-00-2 is a valid CAS Registry Number.

5416-00-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-nitrobenzenecarbothioic S-acid

1.2 Other means of identification

Product number -
Other names m-nitrothiobenzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5416-00-2 SDS

5416-00-2Relevant academic research and scientific papers

Catalyst- and organic solvent-free synthesis of thioacids in water

Elagawany, Mohamed,Hegazy, Lamees,Elgendy

supporting information, p. 2018 - 2021 (2019/07/03)

Thioacids and thioamino acids were synthesized in excellent yields from readily available acyl benzotriazoles and sodium hydrosulfide in water at room temperature. The new methodology features mild reaction conditions, high yields, short reaction times, and does not involve the use of organic solvents or bases. The reaction is eco-friendly, and the workup procedure is simple and does not require chromatographic separation.

Anti-leishmanial activity of novel homo- and heteroleptic bismuth(iii) thiocarboxylates

Andrews, Philip C.,Junk, Peter C.,Kedzierski, Lukasz,Peiris, Roshani M.

, p. 1297 - 1305 (2013/10/22)

Two new thiocarboxylic acids, p-bromothiobenzoic BTA and thionaphthoic acid TNA, and five new homo- and heteroleptic bismuth(iii) compounds derived from thiocarboxylic acids: [Bi{S(C≤O)C6H4Br}3] 1, [PhBi{S(C≤O)C6H4Br}2] 2, [Bi{S(C≤O)C10H7}3] 3, [PhBi{S(C≤O)C10H7}2] 4, and [Ph2Bi{S(C≤O)C10H7}] 5 were synthesised and fully characterised. The solid-state structure of complex [PhBi{S(C≤O)C6H4Br}2] 2 was confirmed by X-ray crystallography. In complex 2, the two thiocarboxylate ligands are coordinated to the bismuth(iii) centre in a didentate fashion, forming a distorted octahedral geometry in which the phenyl group and the lone pair are oriented axial to the plane formed by the two thiocarboxylate ligands. Long-range Bi-S interactions (3.54A) link these monomeric units to form a one-dimensional polymer. These compounds, in addition to six previously synthesised complexes: [Bi{SC(≤O)C6H5}3] 6, [PhBi{SC(≤O)C6H5}2] 7, [Ph2Bi{SC(≤O)C6H5}] 8, [Bi{SC(≤O)C6H4NO2}3] 9, [PhBi{SC(≤O)C6H4NO2}2] 10, and [PhBi{SC(≤O)C6H4SO3}] 11, and the thiocarboxylic acids themselves, were assessed for their in vitro activity against Leishmania major promastigotes, and for general toxicity against human fibroblast cells. The thiocarboxylic acids, with the exception of thiobenzoic acid and sulfothiobenzoic acid, were toxic to both L. major parasites and the mammalian cells at high concentrations of 50-100M. The bismuth(iii) thiocarboxylate derivatives proved to be more active than the corresponding acids. Among these, the heteroleptic phenyl-substituted bismuth(iii) complexes 2, 4, 5, and 7 were highly active, showing IC50 (half maximal inhibitory concentration) values ranging from 0.39 to 4.69M, and a clear ligand dependence on activity.

ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME

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Page/Page column 103; 104, (2012/03/09)

The present disclosure relates to acylsulfonamides and processes for their preparation. The processes involve a target-guided synthesis approach, whereby a thioacid and a sulfonyl azide are reacted in the presence of a biological target protein, a Bcl-2 family protein, to form the acylsulfonamide.

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