Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-

Base Information

• Chemical Name: Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-
• CAS No.: 115714-54-0
• Molecular Formula: C₁₀H₉N₅OS
• Molecular Weight: 247.28
• DSSTox Substance ID: DTXSID00384498
• Wikidata: Q82176682
• ChEMBL ID: CHEMBL2063616

Synonyms:115714-54-0;Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-;N-(1H-1,2,4-triazol-5-ylcarbamothioyl)benzamide;N-(1,2,4-triazol-5-yl)-N'-benzoylthiourea;N-{1,2,4-triazol-5-yl)-N'-benzoylthiourea;HMS1662C20;CBMicro_032526;SCHEMBL9371060;CHEMBL2063616;DTXSID00384498;ISJKWWWRJNONKI-UHFFFAOYSA-N;CCG-47988;BIM-0032440.P001;SR-01000637565-1;BRD-K57915241-001-01-3;N-((1H-1,2,4-Triazol-3-yl)carbamothioyl)benzamide

Chemical Property of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 247.05278110
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=NN2

Technology Process of Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-

There total 1 articles about Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]- 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:

3(5)-amino-1,2,4-triazole (61-82-5) + ammonium thiocyanate + benzoyl chloride (98-88-4) → N-(1,2,4-triazolo-5-yl)-N'-benzoylthiourea (115714-54-0)

Guidance literature:

In N-methyl-acetamide; ethanol; water; acetone;

upstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

benzoyl chloride

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