9-Methyl-6-(methylthio)-9H-purine
TL;DR: 9-Methyl-6-(methylthio)-9H-purine (CAS 1127-75-9) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-6-methylsulfanylpurine
Also Known As: 9-methyl-6-methylsulfanylpurine, 9-Methyl-6-(methylthio)purine, S,N9-Dimethyl-6-mercaptopurine, 9-methyl-6-methylthiopurine, 9-METHYL-6-(METHYLTHIO)-9H-PURINE
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 1127-75-9 |
|---|---|
| SMILES | CN1C=NC2=C1N=CN=C2SC |
| InChIKey | WSHSHJGZEQTGJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Methyl-6-(methylthio)-9H-purine (CAS 1127-75-9), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 9-methyl-6-methylsulfanylpurine.
Chemical Property Profile of 9-Methyl-6-(methylthio)-9H-purine
Property Insights of 9-Methyl-6-(methylthio)-9H-purine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methyl-6-(methylthio)-9H-purine. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methyl-6-(methylthio)-9H-purine. Following Lipinski's Rule of Five, 9-Methyl-6-(methylthio)-9H-purine has 0 hydrogen bond donor(s) and 4 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 9-Methyl-6-(methylthio)-9H-purine?
The CAS number of 9-Methyl-6-(methylthio)-9H-purine is 1127-75-9.
What is the molecular formula of 9-Methyl-6-(methylthio)-9H-purine?
The molecular formula of 9-Methyl-6-(methylthio)-9H-purine is C7H8N4S.
What is the molecular weight of 9-Methyl-6-(methylthio)-9H-purine?
The molecular weight of 9-Methyl-6-(methylthio)-9H-purine is 180.05 g/mol.
Where can I buy 9-Methyl-6-(methylthio)-9H-purine?
You can request a quote for 9-Methyl-6-(methylthio)-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methyl-6-(methylthio)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Methyl-6-(methylthio)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.