2-methyl-6,7-dihydro-3H-triazolo[4,5-d]pyrimidine-5-thione

Base Information

• Chemical Name: 2-methyl-6,7-dihydro-3H-triazolo[4,5-d]pyrimidine-5-thione
• CAS No.: 77976-33-1
• Molecular Formula: C₅H₇N₅S
• Molecular Weight: 169.21
• NSC Number: 336372
• DSSTox Substance ID: DTXSID80419535

Synonyms:77976-33-1;NSC336372;2-methyl-6,7-dihydro-3H-triazolo[4,5-d]pyrimidine-5-thione;DTXSID80419535;NSC-336372;5H-1,2,3-Triazolo[4,5-d]pyrimidine-5-thione, 2,3,6,7-tetrahydro-2-methyl-;5H-1,3-Triazolo[4,5-d]pyrimidine-5-thione, 2,3,6,7-tetrahydro-2-methyl-

Chemical Property of 2-methyl-6,7-dihydro-3H-triazolo[4,5-d]pyrimidine-5-thione

Chemical Property:

• Vapor Pressure: 0.0523mmHg at 25°C
• Boiling Point: 234.6°C at 760 mmHg
• Flash Point: 95.7°C
• Density: 1.81g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.04221642
• Heavy Atom Count: 11
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1N=C2CNC(=S)NC2=N1

Technology Process of 2-methyl-6,7-dihydro-3H-triazolo[4,5-d]pyrimidine-5-thione

There total 1 articles about 2-methyl-6,7-dihydro-3H-triazolo[4,5-d]pyrimidine-5-thione 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: 94.0%

carbon disulfide (75-15-0,12122-00-8) + 4-amino-5-aminomethyl-2-methyl-1,2,3-triazole (28539-31-3) → 1,6-dihydro-8-methyl-8-azapurine-2-thione (77976-33-1)

Guidance literature:

With pyridine; triethylamine; for 6h; Heating;

DOI:10.1039/P19810000887

upstream raw materials:

carbon disulfide

4-amino-5-aminomethyl-2-methyl-1,2,3-triazole

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