6-Mercapto-9-methylpurine
TL;DR: 6-Mercapto-9-methylpurine (CAS 2382-14-1) is a chemical compound with molecular formula C6H6N4S and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3H-purine-6-thione
Also Known As: 9-Methyl-6-thiopurine, 6-Mercapto-9-methylpurine, 9-methyl-9H-purine-6-thiol, 9-Methyl-6-mercaptopurine, 9-methyl-3H-purine-6-thione
| Molecular Formula | C6H6N4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.02589 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.03131 |
| Heavy Atoms | 11 |
| Complexity | 441.02417 |
Chemical Identifiers
| CAS Number | 2382-14-1 |
|---|---|
| SMILES | CN1C=NC2=C1NC=NC2=S |
Product Overview
6-Mercapto-9-methylpurine (CAS 2382-14-1), with molecular formula C6H6N4S and molecular weight 166.03 g/mol. IUPAC: 9-methyl-3H-purine-6-thione.
Chemical Property Profile of 6-Mercapto-9-methylpurine
Property Insights of 6-Mercapto-9-methylpurine
The XLogP value of 1.02589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Mercapto-9-methylpurine. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Mercapto-9-methylpurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Mercapto-9-methylpurine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Mercapto-9-methylpurine?
The CAS number of 6-Mercapto-9-methylpurine is 2382-14-1.
What is the molecular formula of 6-Mercapto-9-methylpurine?
The molecular formula of 6-Mercapto-9-methylpurine is C6H6N4S.
What is the molecular weight of 6-Mercapto-9-methylpurine?
The molecular weight of 6-Mercapto-9-methylpurine is 166.03 g/mol.
Where can I buy 6-Mercapto-9-methylpurine?
You can request a quote for 6-Mercapto-9-methylpurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mercapto-9-methylpurine?
Yes, KEHONG BIO provides custom synthesis services for 6-Mercapto-9-methylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.