68212-26-0

Basic information

• Product Name: 5-[(4-CHLOROPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: NSC 699747
• CAS NO: 68212-26-0
• Molecular Formula: C₁₅H₁₂ClN₃OS
• Molecular Weight: 317.7933
• Mol File: 68212-26-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 441.9°Cat760mmHg
• Flash Point: 221.1°C
• Appearance: /
• Density: 1.36g/cm³
• Vapor Pressure: 5.24E-08mmHg at 25°C
• Refractive Index: 1.672
• CAS DataBase Reference: 5-[(4-CHLOROPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-[(4-CHLOROPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL(68212-26-0)
• EPA Substance Registry System: 5-[(4-CHLOROPHENOXY)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL(68212-26-0)

Safety Data

• Hazardous Substances Data: 68212-26-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H12ClN3OS/c16-11-6-8-13(9-7-11)20-10-14-17-18-15(21)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,21)

Upstream product

• 103-72-0 phenyl isothiocyanate 
• 2381-75-1 (4-chlorophenoxy)acetic acid hydrazide 
• 106-48-9 4-chloro-phenol 
• 14426-42-7 ethyl p-chlorophenoxyacetate 
• 35196-40-8 1-[(4-chloro-phenoxy)-acetyl]-4-phenyl-thiosemicarbazide 

Downstream Products

• 129545-10-4 5-(4-Chloro-phenoxymethyl)-4-phenyl-2-piperidin-1-ylmethyl-2,4-dihydro-[1,2,4]triazole-3-thione 
• 129545-11-5 5-(4-Chloro-phenoxymethyl)-2-morpholin-4-ylmethyl-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione 
• 129573-99-5 C₃₆H₃₄Cl₂N₈O₂S₂ 
• 129544-90-7 1-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-1H-benzotriazole 
• 76659-41-1 O,O-dimethyl-S-<3-(4'-chlorophenoxymethyl)-N⁴-phenyl-1,2,4-triazol-5-yl>dithiophosphate 
• 131142-21-7 (3-p-chlorophenoxymethyl-4-phenyl-1,2,4-triazol-5-yl thio) acetate 
• 131942-87-5 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-phenyl-acetamide 
• 131943-00-5 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-p-tolyl-thiazol-2-yl)-acetamide 
• 129545-03-5 3-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-pentane-2,4-dione 
• 129544-98-5 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone 
• 129544-99-6 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-p-tolyl-ethanone 
• 129545-00-2 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(4-chloro-phenyl)-ethanone 
• 129545-01-3 1-(4-Bromo-phenyl)-2-[5-(4-chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone 
• 131942-88-6 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-p-tolyl-acetamide 

Relevant articles and documents

One-pot synthesis and crystal structure of 4-phenyl-3-[4- chlorophenoloxymethyl]-1H-1,2,4-triazole-5(4H)-thione

4-Phenyl-3-[4-chlorophenoloxymethyl]-1H-1,2,4-triazole-5-thione was synthesized with one-pot method. The structure of the title compound was conformed by IR, 1H NMR, elemental analysis studies, and the crystal structure was determined by X-ray diffraction

USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO)

There is disclosed the use of a compound of formula (I) wherein X, Y, W and Q are as defined in the specification, and pharmaceutically acceptable salts thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of the enzyme myeloperoxidase (MPO) is beneficial. Certain novel compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed, together with processes for their preparation. The compounds of formulae (I) are MPO inhibitors and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders.

Synthesis and antibacterial activity of some phenoxyacetyl thiosemicarbazides, substituted 1,3,4-oxadiazoles, 1,2,4-triazoles and alkyl/phenyl carbamates of substituted 1,3,4-oxadiazole-2-thiones

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