Purine-6-thiol, ethyl carbonate
TL;DR: Purine-6-thiol, ethyl carbonate (CAS 92352-22-2) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7H-purin-6-ylsulfanylformate
Also Known As: Purine-6-thiol, ethyl carbonate, ethyl 7H-purin-6-ylsulfanylformate, Thiocarbonic acid o-ethyl-S-purin-6-yl ester, O-Ethyl S-(7H-purin-6-yl) carbonothioate, o-Ethyl S-(7H-purin-6-yl) thiocarbonate #
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 92352-22-2 |
|---|---|
| SMILES | CCOC(=O)SC1=NC=NC2=C1NC=N2 |
| InChIKey | KDZQFTVDTGVNCC-UHFFFAOYSA-N |
Product Overview
Purine-6-thiol, ethyl carbonate (CAS 92352-22-2), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: ethyl 7H-purin-6-ylsulfanylformate.
Chemical Property Profile of Purine-6-thiol, ethyl carbonate
Property Insights of Purine-6-thiol, ethyl carbonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine-6-thiol, ethyl carbonate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine-6-thiol, ethyl carbonate. Following Lipinski's Rule of Five, Purine-6-thiol, ethyl carbonate has 1 hydrogen bond donor(s) and 6 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 Purine-6-thiol, ethyl carbonate?
The CAS number of Purine-6-thiol, ethyl carbonate is 92352-22-2.
What is the molecular formula of Purine-6-thiol, ethyl carbonate?
The molecular formula of Purine-6-thiol, ethyl carbonate is C8H8N4O2S.
What is the molecular weight of Purine-6-thiol, ethyl carbonate?
The molecular weight of Purine-6-thiol, ethyl carbonate is 224.04 g/mol.
Where can I buy Purine-6-thiol, ethyl carbonate?
You can request a quote for Purine-6-thiol, ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine-6-thiol, ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Purine-6-thiol, ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.