4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one

Base Information

• Chemical Name: 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one
• CAS No.: 22278-81-5
• Molecular Formula: C4H6 N4 O S
• Molecular Weight: 158.184
• Hs Code.: 2933699090
• European Community (EC) Number: 861-529-8
• DSSTox Substance ID: DTXSID70361635
• Nikkaji Number: J687.680C
• Wikidata: Q82144046
• ChEMBL ID: CHEMBL568979
• Mol file: 22278-81-5.mol

Synonyms:4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one

Chemical Property of 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Boiling Point: 255.1°Cat760mmHg
• Flash Point: 108.1°C
• PSA: 112.60000
• Density: 1.75g/cm³
• LogP: -0.46960
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 158.02623200
• Heavy Atom Count: 10
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

4-amino-6-methyl-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=S)N(C1=O)N

Technology Process of 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one

There total 6 articles about 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one 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: 90.0%

2-oxo-propionic acid (127-17-3) + Thiocarbohydrazide (2231-57-4) → 4-amino-6-methyl-3-thio-1,2,4-triazin-5-one (22278-81-5)

Guidance literature:

for 0.0833333h; microwave irradiation;

DOI:10.1515/HC.2005.11.1.101

Reference yield:

sodium pyruvate (113-24-6) + Thiocarbohydrazide (2231-57-4) → 4-amino-5-oxo-3-thioxo-6-methyl-2,3,4,5-tetrahydro<1,2,4>triazine (22278-81-5)

Guidance literature:

With hydrazine; In water; at 60 ℃; for 0.5h;

DOI:10.1134/S106816201905008X

Reference yield:

sodium pyruvate (113-24-6) + Thiocarbohydrazide (2231-57-4) → 4-amino-6-methyl-3-thio-1,2,4-triazin-5-one (22278-81-5)

Guidance literature:

With sulfuric acid; In water;

DOI:10.1002/jhet.3567

upstream raw materials:

2-oxo-propionic acid

Thiocarbohydrazide

sodium pyruvate

Downstream raw materials:

3-methyl-7-styryl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-(4-fluoro-phenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-phenyl-3-methyl-4-oxo-4H-1,3,4-thiadiazolo<2,3-c>-1,2,4-triazine

7-(4-chloro-phenyl)-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one