Purine, 6-((o-chlorobenzyl)thio)-
TL;DR: Purine, 6-((o-chlorobenzyl)thio)- (CAS 5069-68-1) is a chemical compound with molecular formula C12H9ClN4S and molecular weight 276.02365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(2-chlorophenyl)methylsulfanyl]-7H-purine
Also Known As: Purine, 6-((o-chlorobenzyl)thio)-, 6-((p-Chlorobenzyl)thio)purine, Purine, 6-[(o-chlorobenzyl)thio]-, PU03, 2-chlorobenzyl 7h-purin-6-yl sulfide
Technical Specifications
| Molecular Formula | C12H9ClN4S |
| Molecular Weight | 276.02365 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.02365 Da |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)Cl |
| InChIKey | ZITSATWAZDKOBF-UHFFFAOYSA-N |
Chemical Property Profile of Purine, 6-((o-chlorobenzyl)thio)-
Property Insights of Purine, 6-((o-chlorobenzyl)thio)-
The XLogP value of 3.1 indicates that Purine, 6-((o-chlorobenzyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine, 6-((o-chlorobenzyl)thio)-. Following Lipinski's Rule of Five, Purine, 6-((o-chlorobenzyl)thio)- 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 Purine, 6-((o-chlorobenzyl)thio)-?
The CAS number of Purine, 6-((o-chlorobenzyl)thio)- is 5069-68-1.
What is the molecular formula of Purine, 6-((o-chlorobenzyl)thio)-?
The molecular formula of Purine, 6-((o-chlorobenzyl)thio)- is C12H9ClN4S.
What is the molecular weight of Purine, 6-((o-chlorobenzyl)thio)-?
The molecular weight of Purine, 6-((o-chlorobenzyl)thio)- is 276.02365 g/mol.
Where can I buy Purine, 6-((o-chlorobenzyl)thio)-?
You can request a quote for Purine, 6-((o-chlorobenzyl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Purine, 6-((o-chlorobenzyl)thio)-?
Yes, CoreyChem provides custom synthesis services for Purine, 6-((o-chlorobenzyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.