8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione
TL;DR: 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione (CAS 2476-54-2) is a chemical compound with molecular formula C5H4N4O2S and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione
Also Known As: 8-mercaptoxanthine, 8-thiouric, 2.6-Dioxy-8-thiopurin, 2,6-Dihydroxy-8-mercaptopurine, 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione
| Molecular Formula | C5H4N4O2S |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | -0.39791 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.0055 |
| Heavy Atoms | 12 |
| Complexity | 585.4945 |
Chemical Identifiers
| CAS Number | 2476-54-2 |
|---|---|
| SMILES | C12=C(NC(=O)NC1=O)NC(=S)N2 |
Product Overview
8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione (CAS 2476-54-2), with molecular formula C5H4N4O2S and molecular weight 184.01 g/mol. IUPAC: 8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione.
Chemical Property Profile of 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione
Property Insights of 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione
The XLogP value of -0.39791 indicates that 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione. Following Lipinski's Rule of Five, 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione has 4 hydrogen bond donor(s) and 3 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-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione?
The CAS number of 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione is 2476-54-2.
What is the molecular formula of 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione?
The molecular formula of 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione is C5H4N4O2S.
What is the molecular weight of 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione?
The molecular weight of 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione is 184.01 g/mol.
Where can I buy 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione?
You can request a quote for 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Thioxo-3,7,8,9-Tetrahydro-1h-Purine-2,6-Dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.