2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione
TL;DR: 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione (CAS 178613-35-9) 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.
2-sulfanylidene-7,9-dihydro-3H-purine-6,8-dione
Also Known As: 2-Thiouric acid, thiouric acid, 2-Mercaptopurine-6,8-diol, 2-thio-6,8-dioxopurine, 2-thio-6,8-dioxypurine
| 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 | 178613-35-9 |
|---|---|
| SMILES | C12=C(NC(=O)N1)NC(=S)NC2=O |
Product Overview
2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione (CAS 178613-35-9), with molecular formula C5H4N4O2S and molecular weight 184.01 g/mol. IUPAC: 2-sulfanylidene-7,9-dihydro-3H-purine-6,8-dione.
Chemical Property Profile of 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione
Property Insights of 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione
The XLogP value of -0.39791 indicates that 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-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 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione. Following Lipinski's Rule of Five, 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-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 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione?
The CAS number of 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione is 178613-35-9.
What is the molecular formula of 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione?
The molecular formula of 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione is C5H4N4O2S.
What is the molecular weight of 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione?
The molecular weight of 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione is 184.01 g/mol.
Where can I buy 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione?
You can request a quote for 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,7,9-Tetrahydro-2-thioxo-1H-purine-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.