5-amino-N-benzyl-1,2,4-triazole-1-carbothioamide

Base Information

• Chemical Name: 5-amino-N-benzyl-1,2,4-triazole-1-carbothioamide
• CAS No.: 35101-87-2
• Molecular Formula: C10H11 N5 S
• Molecular Weight: 233.297
• NSC Number: 145181
• DSSTox Substance ID: DTXSID00398535
• ChEMBL ID: CHEMBL322024
• Mol file: 35101-87-2.mol

Synonyms:35101-87-2;NSC145181;5-amino-N-benzyl-1,2,4-triazole-1-carbothioamide;CHEMBL322024;SCHEMBL9042173;DTXSID00398535;NSC-145181

Chemical Property of 5-amino-N-benzyl-1,2,4-triazole-1-carbothioamide

Chemical Property:

• Vapor Pressure: 1.28E-08mmHg at 25°C
• Boiling Point: 459.3°Cat760mmHg
• Flash Point: 231.6°C
• Density: 1.39g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 233.07351655
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=S)N2C(=NC=N2)N

Technology Process of 5-amino-N-benzyl-1,2,4-triazole-1-carbothioamide

There total 2 articles about 5-amino-N-benzyl-1,2,4-triazole-1-carbothioamide 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: 88.0%

3(5)-amino-1,2,4-triazole (61-82-5) + Benzyl isothiocyanate (622-78-6) → 5-amino-[1,2,4]triazole-1-carbothioic acid benzylamide (35101-87-2)

Guidance literature:

In acetonitrile; for 8h; Reflux;

DOI:10.1016/j.ejmech.2012.07.020

Reference yield:

→ 5-amino-[1,2,4]triazole-1-carbothioic acid benzylamide (35101-87-2)

Guidance literature:

3-Amino-1,2,4-triazol, PhCH2NCS ;

upstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

Benzyl isothiocyanate

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