6-Hydroxy-3-(methylthio)-1,2,4-triazine-5-carboxamide

Base Information

• Chemical Name: 6-Hydroxy-3-(methylthio)-1,2,4-triazine-5-carboxamide
• CAS No.: 96259-33-5
• Molecular Formula: C₅H₆N₄O₂S
• Molecular Weight: 186.194
• Hs Code.: 2933699090
• European Community (EC) Number: 844-960-6
• Mol file: 96259-33-5.mol

Synonyms:96259-33-5;6-HYDROXY-3-(METHYLTHIO)-1,2,4-TRIAZINE-5-CARBOXAMIDE;AKOS006313199;AB55548;EN300-7431383;3-methylsulfanyl-6-oxo-1H-1,2,4-triazine-5-carboxamide;6-hydroxy-3-(methylsulfanyl)-1,2,4-triazine-5-carboxamide;3-(Methylthio)-6-oxo-1,6-dihydro-1,2,4-triazine-5-carboxamide

Chemical Property of 6-Hydroxy-3-(methylthio)-1,2,4-triazine-5-carboxamide

Chemical Property:

• PSA: 127.29000
• LogP: 0.09830
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.02114662
• Heavy Atom Count: 12
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

6-HYDROXY-3-(METHYLTHIO)-1,2,4-TRIAZINE-5-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NNC(=O)C(=N1)C(=O)N

Technology Process of 6-Hydroxy-3-(methylthio)-1,2,4-triazine-5-carboxamide

There total 1 articles about 6-Hydroxy-3-(methylthio)-1,2,4-triazine-5-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

3-(methylthio)-5-carbethoxy-6-oxo-1,6-dihydro-1,2,4-triazine (96259-27-7) → 3-(methylthio)-5-carbamoyl-6-oxo-1,6-dihydro-1,2,4-triazine (96259-33-5)

Guidance literature:

With ammonia; In methanol; for 10h; Ambient temperature;

DOI:10.1021/jo00213a019

Reference yield: 46.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) + 3-(methylthio)-5-carbamoyl-6-oxo-1,6-dihydro-1,2,4-triazine (96259-33-5) → 3-(methylthio)-5-(p-N,N-dimethylanilino)-6-chloro-1,2,4-triazine (96259-35-7)

Guidance literature:

With trichlorophosphate; for 4h; Heating;

DOI:10.1021/jo00213a019

upstream raw materials:

3-(methylthio)-5-carbethoxy-6-oxo-1,6-dihydro-1,2,4-triazine

Downstream raw materials:

3-(methylthio)-5-(p-N,N-dimethylanilino)-6-chloro-1,2,4-triazine

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