2-Sulfanylidenepurin-6-one
TL;DR: 2-Sulfanylidenepurin-6-one (CAS 1002025-91-3) is a chemical compound with molecular formula C5H2N4OS and molecular weight 165.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidenepurin-6-one
Also Known As: 2-Thioxanthine, 2-thioketo-6-keto-purine, 2-sulfanylidene-2,6-dihydro-1H-purin-6-one, 6H-Purin-6-one, 1,2,3,9-tetrahydro-2-thioxo-, I09-0299
| Molecular Formula | C5H2N4OS |
|---|---|
| Molecular Weight | 165.99 g/mol |
| LogP | -0.7175 |
| Topological Polar Surface Area | 66.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.99493 |
| Heavy Atoms | 11 |
| Complexity | 340.39157 |
Chemical Identifiers
| CAS Number | 1002025-91-3 |
|---|---|
| SMILES | C1=NC2=NC(=S)NC(=O)C2=N1 |
Product Overview
2-Sulfanylidenepurin-6-one (CAS 1002025-91-3), with molecular formula C5H2N4OS and molecular weight 165.99 g/mol. IUPAC: 2-sulfanylidenepurin-6-one.
Chemical Property Profile of 2-Sulfanylidenepurin-6-one
Property Insights of 2-Sulfanylidenepurin-6-one
The XLogP value of -0.7175 indicates that 2-Sulfanylidenepurin-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Sulfanylidenepurin-6-one. Following Lipinski's Rule of Five, 2-Sulfanylidenepurin-6-one 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
Frequently Asked Questions
What is the CAS number of 2-Sulfanylidenepurin-6-one?
The CAS number of 2-Sulfanylidenepurin-6-one is 1002025-91-3.
What is the molecular formula of 2-Sulfanylidenepurin-6-one?
The molecular formula of 2-Sulfanylidenepurin-6-one is C5H2N4OS.
What is the molecular weight of 2-Sulfanylidenepurin-6-one?
The molecular weight of 2-Sulfanylidenepurin-6-one is 165.99 g/mol.
Where can I buy 2-Sulfanylidenepurin-6-one?
You can request a quote for 2-Sulfanylidenepurin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Sulfanylidenepurin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Sulfanylidenepurin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.