Thioxopurinone
TL;DR: Thioxopurinone (CAS 89282-20-2) is a chemical compound with molecular formula C5H4N4OS and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-7,9-dihydro-3H-purin-8-one
Also Known As: thioxopurinone, 8-hydroxy-2-mercaptopurine, 2-sulfanylidene-7,9-dihydro-3H-purin-8-one, 8H-Purin-8-one, 1,2,3,7-tetrahydro-2-thioxo-, 2-Sulfanylidene-2,3,7,9-tetrahydro-8H-purin-8-one
| Molecular Formula | C5H4N4OS |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 0.30879 |
| Topological Polar Surface Area | 77.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.01057 |
| Heavy Atoms | 11 |
| Complexity | 490.642 |
Chemical Identifiers
| CAS Number | 89282-20-2 |
|---|---|
| SMILES | C1=NC(=S)NC2=C1NC(=O)N2 |
Product Overview
Thioxopurinone (CAS 89282-20-2), with molecular formula C5H4N4OS and molecular weight 168.01 g/mol. IUPAC: 2-sulfanylidene-7,9-dihydro-3H-purin-8-one.
Chemical Property Profile of Thioxopurinone
Property Insights of Thioxopurinone
The XLogP value of 0.30879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioxopurinone. The TPSA of 77.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioxopurinone. Following Lipinski's Rule of Five, Thioxopurinone has 3 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 Thioxopurinone?
The CAS number of Thioxopurinone is 89282-20-2.
What is the molecular formula of Thioxopurinone?
The molecular formula of Thioxopurinone is C5H4N4OS.
What is the molecular weight of Thioxopurinone?
The molecular weight of Thioxopurinone is 168.01 g/mol.
Where can I buy Thioxopurinone?
You can request a quote for Thioxopurinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioxopurinone?
Yes, KEHONG BIO provides custom synthesis services for Thioxopurinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.