9H-Purine, 9-butyl-6-(methylthio)-

Base Information

• Chemical Name: 9H-Purine, 9-butyl-6-(methylthio)-
• CAS No.: 15923-48-5
• Molecular Formula: C₁₀H₁₄N₄S
• Molecular Weight: 222.314
• Hs Code.: 2933990090
• NSC Number: 78508
• UNII: NJ6Q5DH6KR
• DSSTox Substance ID: DTXSID20166617
• Nikkaji Number: J51.152H
• Wikidata: Q83035798
• ChEMBL ID: CHEMBL1364705
• Mol file: 15923-48-5.mol

Synonyms:9H-Purine, 9-butyl-6-(methylthio)-;9-Butyl-6-(methylthio)-9H-purine;15923-48-5;9-butyl-6-methylsulfanylpurine;NSC78508;NSC-78508;NJ6Q5DH6KR;NSC 78508;BRN 2978802;UNII-NJ6Q5DH6KR;5-26-12-00411 (Beilstein Handbook Reference);CHEMBL1364705;DTXSID20166617;NCI78508;9-(n-butyl)-6-methylmercaptopurine;CCG-38303;NCGC00013843;9-butyl-9H-purin-6-yl methyl sulfide;NCGC00013843-02;NCGC00096953-01;NCI60_041732;WLN: T56 BN DN FN HNJ D4 IS1

Chemical Property of 9H-Purine, 9-butyl-6-(methylthio)-

Chemical Property:

• Vapor Pressure: 3.78E-06mmHg at 25°C
• Boiling Point: 385.5°C at 760 mmHg
• PKA: 1.82±0.10(Predicted)
• Flash Point: 187°C
• PSA: 68.90000
• Density: 1.27g/cm³
• LogP: 2.34830
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.09391764
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=NC2=C1N=CN=C2SC

Technology Process of 9H-Purine, 9-butyl-6-(methylthio)-

There total 1 articles about 9H-Purine, 9-butyl-6-(methylthio)- 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:

→ 9-butyl-6-methylsulfanyl-9H-purine (15923-48-5)

Guidance literature:

9-Butyl-9H-purin-6(1H)-thion, Methyliodid;

DOI:10.1021/jm00307a008