CAS 2218-96-4

2,4-Dinitrobenzenethiol

Description:

2,4-Dinitrobenzenethiol, with the CAS number 2218-96-4, is an organic compound characterized by the presence of both nitro and thiol functional groups. It features a benzene ring substituted at the 2 and 4 positions with nitro groups and at the 1 position with a thiol (-SH) group. This compound typically appears as a yellow crystalline solid and is known for its strong odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. The presence of the nitro groups contributes to its electron-withdrawing properties, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. 2,4-Dinitrobenzenethiol is often used in organic synthesis and as a reagent in analytical chemistry. However, it is important to handle this compound with care, as it may pose health risks, including toxicity and potential environmental hazards. Proper safety protocols should be followed when working with this substance in laboratory settings.

Formula: C₆H₄N₂O₄S

InChI: InChI=1/C6H4N2O4S/c9-7(10)4-1-2-6(13)5(3-4)8(11)12/h1-3,13H

InChI key: InChIKey=MHKRINONGZJSSL-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(N(=O)=O)=CC=C1S

Synonyms:

• 2,4-Dinitrobenzenethiol
• Benzenethiol, 2,4-dinitro-
• 2,4-Dinitrothiophenol

2,4-Dinitrobenzene-1-thiol

CAS: 2218-96-4

2,4-Dinitrobenzene-1-thiol is a reactive, acidic chemical that has been shown to inhibit glyceraldehyde 3-phosphate dehydrogenase and carbonic anhydrase. 2,4-Dinitrobenzene-1-thiol reacts with the unionized form of the protonated ligand to form a tailing complex in which two molecules of water are bound to the thiolate. The second order rate constant for this reaction is

Formula: C₆H₄N₂O₄S

Purity: Min. 95%

Molecular weight: 200.17 g/mol

Ref: 3D-CAA21896