2-(5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzamide

Base Information

Chemical Name:2-(5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzamide
CAS No.:91511-36-3
Molecular Formula:C₁₀H₈N₄O₂S
Molecular Weight:248.265
Hs Code.:
DSSTox Substance ID:DTXSID80536190
Wikidata:Q82410780

Synonyms:91511-36-3;2-(5-Oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzamide;DTXSID80536190;2-(5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzamide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzamide

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:248.03679668
Heavy Atom Count:17
Complexity:407

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)C(=O)N

Technology Process of 2-(5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzamide

There total 3 articles about 2-(5-Oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzamide 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:

: 528-46-1
phthalonic acid

: 91511-36-3
2-(5-Oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-benzamide

Guidance literature:: Multi-step reaction with 3 steps

1: 42 percent / Na₂CO₃ / 3 h / Heating

2: 86 percent / 3percent HCl / methanol / 2 h / Heating

3: 25percent NH₃ / 360 h / Ambient temperature

With hydrogenchloride; ammonium hydroxide; sodium carbonate; In methanol;

Reference yield:

: 91511-34-1
2-(3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzoic acid

: 91511-36-3
2-(5-Oxo-3-thioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / 3percent HCl / methanol / 2 h / Heating

2: 25percent NH₃ / 360 h / Ambient temperature

With hydrogenchloride; ammonium hydroxide; In methanol;