6-Mercaptopurine 3-oxide

Base Information

• Chemical Name: 6-Mercaptopurine 3-oxide
• CAS No.: 145-95-9
• Molecular Formula: C₅H₄N₄OS
• Molecular Weight: 168.179
• NSC Number: 528013
• UNII: 6VHR658170
• Wikidata: Q27265583
• Mol file: 145-95-9.mol

Synonyms:6-Mercaptopurine 3-oxide;6-MERCAPTOPURINE-3-N-OXIDE;Mercaptopurine-3-N-oxide;145-95-9;6-Mercaptopurine oxide;Purin-6-thiol, 3-N-oxide;FDA 0188;3-hydroxy-7H-purine-6-thione;Mercaptopurine 3-N-oxide;Purine-6-thiol, 3-oxide;6-Mercaptopurine 3-N-oxide;NSC 528013;UNII-6VHR658170;6VHR658170;NSC-528013;1,7-Dihydro-6-thioxo-6H-purine 3-oxide;6H-Purine-6-thione, 1,7-dihydro-, 3-oxide;6-mercaptopurine-3-oxide;NSC528013;WLN: T56 BM DN FN HNJ FO ISH;6H-Purine-6-thione,7-dihydro-, 3-oxide;LS-127168;FT-0759722;Q27265583;6H-PURINE-6-THIONE, 1,2,3,9-TETRAHYDRO-, 3-OXIDE

Chemical Property of 6-Mercaptopurine 3-oxide

Chemical Property:

• Vapor Pressure: 1.91E-14mmHg at 25°C
• Refractive Index: 1.6390 (estimate)
• Boiling Point: 583.2°Cat760mmHg
• Flash Point: 306.5°C
• PSA: 105.83000
• Density: 1.93g/cm³
• LogP: 0.67510
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.01058194
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=S)N=CN2O

Technology Process of 6-Mercaptopurine 3-oxide

There total 2 articles about 6-Mercaptopurine 3-oxide 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:

→ 6-Mercapto-purin-3-oxid (145-95-9)

Guidance literature:

6-Chlorpurin-3-oxid (I),Ammoniumdithiocarbamat;

Reference yield:

→ 3-oxy-1,7(9)-dihydro-purine-6-thione (145-95-9)

Guidance literature:

aus d. Thiazolopyrimidin;

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