8-chloro-6-methylsulfanyl-7H-purine
TL;DR: 8-chloro-6-methylsulfanyl-7H-purine (CAS 100859-39-0) is a chemical compound with molecular formula C6H5ClN4S and molecular weight 199.99234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-6-methylsulfanyl-7H-purine
Also Known As: 8-chloro-6-methylsulfanyl-7H-purine, 9H-Purine, 8-chloro-6-(methylthio)-
Technical Specifications
| Molecular Formula | C6H5ClN4S |
| Molecular Weight | 199.99234 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.99234 Da |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| SMILES | CSC1=NC=NC2=C1NC(=N2)Cl |
| InChIKey | ZSBATWHMMPBGBY-UHFFFAOYSA-N |
Chemical Property Profile of 8-chloro-6-methylsulfanyl-7H-purine
Property Insights of 8-chloro-6-methylsulfanyl-7H-purine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-6-methylsulfanyl-7H-purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-6-methylsulfanyl-7H-purine. Following Lipinski's Rule of Five, 8-chloro-6-methylsulfanyl-7H-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 8-chloro-6-methylsulfanyl-7H-purine?
The CAS number of 8-chloro-6-methylsulfanyl-7H-purine is 100859-39-0.
What is the molecular formula of 8-chloro-6-methylsulfanyl-7H-purine?
The molecular formula of 8-chloro-6-methylsulfanyl-7H-purine is C6H5ClN4S.
What is the molecular weight of 8-chloro-6-methylsulfanyl-7H-purine?
The molecular weight of 8-chloro-6-methylsulfanyl-7H-purine is 199.99234 g/mol.
Where can I buy 8-chloro-6-methylsulfanyl-7H-purine?
You can request a quote for 8-chloro-6-methylsulfanyl-7H-purine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-chloro-6-methylsulfanyl-7H-purine?
Yes, CoreyChem provides custom synthesis services for 8-chloro-6-methylsulfanyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.