8-(Methylthio)purine
TL;DR: 8-(Methylthio)purine (CAS 33426-53-8) 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.
8-methylsulfanyl-7H-purine
Also Known As: 8-(Methylthio)purine, 1H-Purine, 8-(methylthio)-, Purine, 8-(methylthio)-, 9H-Purine, 8-(methylthio)-, 8-Methylthio-purin
| Molecular Formula | C6H6N4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.03131 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 33426-53-8 |
|---|---|
| SMILES | CSC1=NC2=NC=NC=C2N1 |
| InChIKey | OOUSHFSJKWPYDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(Methylthio)purine (CAS 33426-53-8), with molecular formula C6H6N4S and molecular weight 166.03 g/mol. IUPAC: 8-methylsulfanyl-7H-purine.
Chemical Property Profile of 8-(Methylthio)purine
Property Insights of 8-(Methylthio)purine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Methylthio)purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Methylthio)purine. Following Lipinski's Rule of Five, 8-(Methylthio)purine 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
Frequently Asked Questions
What is the CAS number of 8-(Methylthio)purine?
The CAS number of 8-(Methylthio)purine is 33426-53-8.
What is the molecular formula of 8-(Methylthio)purine?
The molecular formula of 8-(Methylthio)purine is C6H6N4S.
What is the molecular weight of 8-(Methylthio)purine?
The molecular weight of 8-(Methylthio)purine is 166.03 g/mol.
Where can I buy 8-(Methylthio)purine?
You can request a quote for 8-(Methylthio)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Methylthio)purine?
Yes, KEHONG BIO provides custom synthesis services for 8-(Methylthio)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.