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

Base Information

• Chemical Name: 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide
• CAS No.: 21731-96-4
• Molecular Formula: C₄H₇N₅S
• Molecular Weight: 157.199
• NSC Number: 144738
• DSSTox Substance ID: DTXSID60390818
• Nikkaji Number: J747.953K
• ChEMBL ID: CHEMBL322630
• Mol file: 21731-96-4.mol

Synonyms:21731-96-4;5-Amino-N-methyl-1H-1,2,4-triazole-1-carbothioamide;5-amino-N-methyl-1,2,4-triazole-1-carbothioamide;NSC144738;CHEMBL322630;SCHEMBL9043574;DTXSID60390818;FKESNZJQUNGGRC-UHFFFAOYSA-N;NSC-144738;1-(methylaminothioformyl)-5-amino-1,2,4-triazole;5-Amino-1-[methylamino(thiocarbonyl)]-1H-1,2,4-triazole;2-[(Methylamino)(thiocarbonyl)]-2H-1,2,4-triazol-3-amine

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

Chemical Property:

• Vapor Pressure: 4.93E-05mmHg at 25°C
• Boiling Point: 348.7°C at 760 mmHg
• Flash Point: 164.7°C
• Density: 1.6g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 157.04221642
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)N1C(=NC=N1)N

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

There total 3 articles about 5-amino-N-methyl-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: 18.0%

3(5)-amino-1,2,4-triazole (61-82-5) + methyl thioisocyanate (556-61-6) → 5-amino-N-methyl-1H-1,2,4-triazole-1-carbothioamide (21731-96-4)

Guidance literature:

In N-methyl-acetamide;

Reference yield: 18.0%

3(5)-amino-1,2,4-triazole (61-82-5) + methyl thioisocyanate (556-61-6) → 5-amino-N-methyl-1H-1,2,4-triazole-1-carbothioamide (21731-96-4) + 3-amino-[1,2,4]triazole-1-carbothioic acid methylamide (89603-53-2)

Guidance literature:

In N,N-dimethyl-formamide; for 60h; Yields of byproduct given; Ambient temperature;

DOI:10.1021/jm9507993

Reference yield:

→ 5-amino-N-methyl-1H-1,2,4-triazole-1-carbothioamide (21731-96-4)

Guidance literature:

DOI:10.1007/BF00486968

upstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

methyl thioisocyanate

Downstream raw materials:

NSC145180

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 21731-96-4 5-amino-N-methyl-1H-1,2,4-triazole-1-carbothioamide

Send

Send

Metric Ton KG G Pound L ML

Send

Send