81104-42-9

Basic information

• Product Name: 4-(METHYLTHIO)BENZHYDRAZIDE
• Synonyms: 4-(METHYLTHIO)BENZHYDRAZIDE;1-(Methylthio)benzene-4-carbohydrazide;4-(Methylsulfanyl)benzohydrazide;4-Methylthiobenzoylhydrazine;NSC 101467;p-(Methylthio)benzohydrazide;4-(methylthio)benzohydrazide
• CAS NO: 81104-42-9
• Molecular Formula: C₈H₁₀N₂OS
• Molecular Weight: 182.24
• Mol File: 81104-42-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 161-163°C
• Appearance: /
• Density: 1.25
• Refractive Index: 1.625
• PKA: 12.48±0.10(Predicted)
• CAS DataBase Reference: 4-(METHYLTHIO)BENZHYDRAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(METHYLTHIO)BENZHYDRAZIDE(81104-42-9)
• EPA Substance Registry System: 4-(METHYLTHIO)BENZHYDRAZIDE(81104-42-9)

Safety Data

• Hazard Codes: Xi,T
• Statements: 36/37/38-43-25
• Safety Statements: 26-36/37/39-45-36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 81104-42-9(Hazardous Substances Data)

Usage

General Description

4-(Methylthio)benzhydrazide, also known as 4-methylthiobenzohydrazide, is a chemical compound with the molecular formula C8H10N2OS. It is a white to pale yellow crystalline powder that is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 4-(METHYLTHIO)BENZHYDRAZIDE has been found to possess anti-tubercular and anti-cancer properties, making it a potentially valuable ingredient in drug development. Additionally, 4-(methylthio)benzhydrazide has been used as a corrosion inhibitor and as a photochemical sensitizer. It is important to handle this chemical with care, as it may cause skin and eye irritation, and it should be stored in a cool, dry place away from sources of ignition and incompatible materials.

InChI:InChI=1/C8H10N2OS/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)

Upstream product

• 1442-06-4 4-(methylthio)benzoyl chloride 
• 13205-48-6 4-(methylthio)benzoic acid 
• 3795-79-7 methyl 4-(methylthio)benzoate 

Downstream Products

• 3795-79-7 methyl 4-(methylthio)benzoate 
• 321196-53-6 5-(4-Methylsulfanyl-phenyl)-3-(3-pyrrolidin-1-ylmethyl-phenyl)-1H-[1,2,4]triazole hydrochloride salt 

Relevant articles and documents

Designing heterocyclic chalcones, benzoyl/sulfonyl hydrazones: An insight into their biological activities and molecular docking study

The aim of this study is to investigate the antioxidant, anticholinesterase and the antiproliferative activities of some chalcones, benzoyl and sulfonyl hydrazones. The antioxidant activity was studied by way of four complimentary assays and the anticholinesterase activity was studied using the Ellman method. The antiproliferative activity of the compounds was determined using a BrdU cell proliferation ELISA assay. Compound 32 (IC50: 15.58 ± 0.01 μg/mL) against the brain (C6) and 29 (IC50: 5.02 ± 0.05 μg/mL) against cervical (HeLa) cancer cell lines exhibited higher antiproliferative activity than the other compounds. Two sulfonyl hydrazone derivatives 45 and 47 exhibited very good antioxidant activity. The results of anticholinesterase activity indicated that nine compounds 3, 8, 10, 14, 24, 25, 27, 38, and 45 significantly inhibited acetylcholinesterase enzymes and thirty-three compounds 1–4, 7–14, 22–28, 32–41, 44–47 inhibited butyrylcholinesterase enzymes (BChE) more than galantamine. In addition, virtual screening methods based on ligand 45 having the best activity against BChE was used to define new human BChE inhibitors. The interactions of ligand 8 against acetylcholinesterase (AChE) were also examined. Important key residues were determined and visualized on completion of the methodology. All calculations indicated the suitability of use of the molecular docking approach for understanding interaction mechanisms and crucial fragments of novel hit compounds such as the potential lead AChE and BChE inhibitor candidates.