447-00-7

Basic information

• Product Name: 6-Phenyl-3-sulphanyl-1,2,4-triazin-5(2H)-one, 2,5-Dihydro-5-oxo-6-phenyl-3-sulphanyl-1,2,4-triazine
• Synonyms: 6-Phenyl-3-sulphanyl-1,2,4-triazin-5(2H)-one, 2,5-Dihydro-5-oxo-6-phenyl-3-sulphanyl-1,2,4-triazine;6-Phenyl-3-thio-1,2,4-triazin-5(2H)-one
• CAS NO: 447-00-7
• Molecular Formula: C₉H₇N₃OS
• Molecular Weight: 205.23638
• Mol File: 447-00-7.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• Density: 1.46g/cm³
• Refractive Index: 1.732
• CAS DataBase Reference: 6-Phenyl-3-sulphanyl-1,2,4-triazin-5(2H)-one, 2,5-Dihydro-5-oxo-6-phenyl-3-sulphanyl-1,2,4-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Phenyl-3-sulphanyl-1,2,4-triazin-5(2H)-one, 2,5-Dihydro-5-oxo-6-phenyl-3-sulphanyl-1,2,4-triazine(447-00-7)
• EPA Substance Registry System: 6-Phenyl-3-sulphanyl-1,2,4-triazin-5(2H)-one, 2,5-Dihydro-5-oxo-6-phenyl-3-sulphanyl-1,2,4-triazine(447-00-7)

Safety Data

• Hazardous Substances Data: 447-00-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H7N3OS/c13-8-7(11-12-9(14)10-8)6-4-2-1-3-5-6/h1-5H,(H2,10,12,13,14)

Upstream product

• 108106-80-5 5-amino-6-phenyl-2H-[1,2,4]triazine-3-thione 
• 18465-40-2 phenylglyoxalic acid thiosemicarbazone 
• 106119-76-0 4-Nitroso-6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one 
• 79-19-6 thiosemicarbazide 
• 611-73-4 Benzoylformic acid 
• 100-42-5 styrene 
• 15206-55-0 methyl 2-oxo-2-phenylacetate 
• 10050-86-9 (4-dimethylamino-phenylimino)-phenyl-acetonitrile 
• 97099-91-7 3-(1-Methyl-prop-2-ynylsulfanyl)-6-phenyl-2H-[1,2,4]triazin-5-one 
• 97099-89-3 6-Phenyl-3-prop-2-ynylsulfanyl-2H-[1,2,4]triazin-5-one 

Downstream Products

• 23891-08-9 5-phenyl-6-azauracil 
• 118726-95-7 (5-oxo-6-phenyl-4,5-dihydro-[1,2,4]triazin-3-ylmercapto)-acetic acid 
• 1566-37-6 6-phenyl-3-methylmercapto-as-triazin-5-one 
• 61788-14-5 3-hydrazino-6-phenyl-1,2,4-triazine-5(4H)-one 
• 6719-24-0 6-phenyl-[1,2,4]triazine-3,5-diamine 
• 56040-93-8 2,3-Dihydro-6-phenyl-5H-thiazolo<2,3-c><1,2,4>-triazin-5-on 
• 87844-08-4 2,3-Dihydro-6-phenyl-7H-thiazolo<3,2-b><1,2,4>triazin-7-on 
• 1186078-92-1 6-phenyl-3-(4-tert-butylphenyl)-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 
• 1186079-12-8 3-[4-(2-dimethylamino-2-oxoethoxy)phenyl]-6-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 
• 1186079-14-0 3-{4-[2-oxo-2-(4-morpholinyl)ethoxy]phenyl}-6-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 
• 1186079-08-2 3-{4-[2-(1-piperidyl)ethoxy]phenyl}-6-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 
• 1186078-85-2 3-(4-hydroxyphenyl)-6-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 
• 1186078-94-3 3-(4-methoxy-3-methylphenyl)-6-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 
• 1258875-39-6 3-(4-hydroxy-3-methylphenyl)-6-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 

Relevant articles and documents

Experimental and theoretical study on the regioselective synthesis and reaction of some bis- and poly(3-mercapto-1,2,4-triazin-5(4H)-one) derivatives

The synthetic utility of 3-thioxo-1,2,4-triazin-5-ones 1 and 4-amino-3-mercapto-1,2,4-triazin-5(4H)-ones 2 as building blocks for novel bis- and poly(1,2,4-triazines) via alkylation with the corresponding bis- and poly(halo) compounds was investigated. Prediction of the site of alkylation has been confirmed using spectroscopic data. Theoretical calculation using hybrid density functional method wb97xd and 6-311++g(d,p) as basis set was implemented to investigate the reaction products energetics parameters. The atomic charges were calculated and discussed in details using three different methods. The transition state search were implemented to estimate the Gibbs free activation energy barrier of the reaction to emphasis the experimental results.

Two regioisomers of condensed thio-heterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetra-hydro-1,2,4-triazin-5-one

In the crystal structure of 6-phenyl-3-thioxo-2,3,4,5-tetra-hydro-1,2,4- triazin-5-one, C9H7N3OS, (I), the 1,2,4-triazine moieties are connected by face-to-face contacts through two kinds of double hydrogen bonds (N - H...

Reactions of 4-nitroso-1,2,4-triazine with derivatives of hydrazine

The action of hydrazine on 4-nitroso-6-phenyl-1,2,4-triazine-3(2H)-thione-5-one results in the cleavage of the nitroso group. The action of phenylhydrazine results in the reduction of the double bond in the triazine ring together with the cleavage of the