6-(Phenylthio)-9H-purine
TL;DR: 6-(Phenylthio)-9H-purine (CAS 5450-35-1) is a chemical compound with molecular formula C11H8N4S and molecular weight 228.04697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-phenylsulfanyl-7H-purine
Also Known As: 6-(Phenylthio)purine, Purine, 6-(phenylthio)-, 6-phenylsulfanyl-7H-purine, 6- purine, 1H-Purine, 6-(phenylthio)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N4S |
| Molecular Weight | 228.04697 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04697 Da |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
| SMILES | C1=CC=C(C=C1)SC2=NC=NC3=C2NC=N3 |
| InChIKey | CTDPZFBZKUUAED-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Phenylthio)-9H-purine
Property Insights of 6-(Phenylthio)-9H-purine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Phenylthio)-9H-purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Phenylthio)-9H-purine. Following Lipinski's Rule of Five, 6-(Phenylthio)-9H-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
What is the CAS number of 6-(Phenylthio)-9H-purine?
The CAS number of 6-(Phenylthio)-9H-purine is 5450-35-1.
What is the molecular formula of 6-(Phenylthio)-9H-purine?
The molecular formula of 6-(Phenylthio)-9H-purine is C11H8N4S.
What is the molecular weight of 6-(Phenylthio)-9H-purine?
The molecular weight of 6-(Phenylthio)-9H-purine is 228.04697 g/mol.
Where can I buy 6-(Phenylthio)-9H-purine?
You can request a quote for 6-(Phenylthio)-9H-purine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Phenylthio)-9H-purine?
Yes, CoreyChem provides custom synthesis services for 6-(Phenylthio)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.