6-Methylmercaptopurine
TL;DR: 6-Methylmercaptopurine (CAS 50-66-8) is a chemical compound with molecular formula C6H6N4S and molecular weight 166.03131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylsulfanyl-7H-purine
Also Known As: 6-Methylmercaptopurine, 6-(Methylthio)purine, 6-Methylthiopurine, 6-methylsulfanyl-7H-purine, 6-Methyl MP
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N4S |
| Molecular Weight | 166.03131 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.03131 Da |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| SMILES | CSC1=NC=NC2=C1NC=N2 |
| InChIKey | UIJIQXGRFSPYQW-UHFFFAOYSA-N |
Product Description
Applications: 6-Methylmercaptopurine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 6-Methylmercaptopurine (CAS 50-66-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
6-Methylmercaptopurine is a pharmaceutical intermediate identified by CAS number 50-66-8 and the molecular formula C6H6N4S and a molecular weight of 166.03 g/mol. It is also known as 6-Methylmercaptopurine and 6-(Methylthio)purine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 6-Methylmercaptopurine
Property Insights of 6-Methylmercaptopurine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylmercaptopurine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methylmercaptopurine. Following Lipinski's Rule of Five, 6-Methylmercaptopurine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Methylmercaptopurine?
The CAS number of 6-Methylmercaptopurine is 50-66-8.
What is the molecular formula of 6-Methylmercaptopurine?
The molecular formula of 6-Methylmercaptopurine is C6H6N4S.
What is the molecular weight of 6-Methylmercaptopurine?
The molecular weight of 6-Methylmercaptopurine is 166.03131 g/mol.
What are the applications of 6-Methylmercaptopurine?
6-Methylmercaptopurine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 6-Methylmercaptopurine (CAS...
Where can I buy 6-Methylmercaptopurine?
You can request a quote for 6-Methylmercaptopurine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methylmercaptopurine?
Yes, CoreyChem provides custom synthesis services for 6-Methylmercaptopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.