2-Methyl-6-thiopurine

Base Information

• Chemical Name: 2-Methyl-6-thiopurine
• CAS No.: 38917-31-6
• Deprecated CAS: 1006-53-7
• Molecular Formula: C6H6N4S
• Molecular Weight: 0
• NSC Number: 76246
• UNII: 7FB9AY9NCM
• DSSTox Substance ID: DTXSID30192189
• Nikkaji Number: J117.152F
• Mol file: 38917-31-6.mol

Synonyms:6-methylmercaptopurine;6-methylthiopurine;methylmercaptopurine

Chemical Property of 2-Methyl-6-thiopurine

Chemical Property:

• Vapor Pressure: 0.00888mmHg at 25°C
• Boiling Point: 266°C at 760 mmHg
• Flash Point: 114.7°C
• PSA: 89.45000
• Density: 1.68g/cm³
• LogP: 1.32390
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.03131738
• Heavy Atom Count: 11
• Complexity: 225

Purity/Quality:

2-METHYL-9H-PURINE-6-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=S)C2=C(N1)N=CN2

Technology Process of 2-Methyl-6-thiopurine

There total 5 articles about 2-Methyl-6-thiopurine 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:

2-methyl-1,7-dihydro-purin-6-one (5167-18-0) + P2 S5 → 2-methyl-1,9-dihydro-purine-6-thione (38917-31-6)

Guidance literature:

With pyridine; sodium hydroxide;

Reference yield:

2-methyl-1,7-dihydro-purin-6-one (5167-18-0) → 2-methyl-1,7-dihydro-purine-6-thione (38917-31-6)

Guidance literature:

With tetraphosphorus decasulfide; tetralin; at 190 ℃;

DOI:10.1021/jo01112a608

Reference yield:

thiourea (17356-08-0) + 6-chloro-2-methyl-7(9)H-purine (100859-35-6) → 2-methyl-1,7-dihydro-purine-6-thione (38917-31-6)

Guidance literature:

With ethanol;

DOI:10.1021/jo01112a608

upstream raw materials:

2-methyl-1,7-dihydro-purin-6-one

thiourea

6-chloro-2-methyl-7⁽⁹⁾H-purine

Downstream raw materials:

2-methyl-6-methylsulfanyl-7(9)H-purine

2-Methyl-purin

2-Methyl-6-[1-[1-[bis(4-fluorophenyl)methyl]piperazin-4-yl]-2-hydroxy-3-propanylthio]purine