6-sulfanylidene-7,9-dihydro-3H-purin-8-one
TL;DR: 6-sulfanylidene-7,9-dihydro-3H-purin-8-one (CAS 20917-46-8) 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.
6-sulfanylidene-7,9-dihydro-3H-purin-8-one
Also Known As: 8-hydroxymercaptopurine, 8-hydroxy-6-mercaptopurine, 6-Mercapto-9H-purine-8-ol, 6-sulfanylidene-7,9-dihydro-3H-purin-8-one, 6-mercapto-7,9-dihydropurin-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 | 492.642 |
Chemical Identifiers
| CAS Number | 20917-46-8 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)NC(=O)N2 |
Product Overview
6-sulfanylidene-7,9-dihydro-3H-purin-8-one (CAS 20917-46-8), with molecular formula C5H4N4OS and molecular weight 168.01 g/mol. IUPAC: 6-sulfanylidene-7,9-dihydro-3H-purin-8-one.
Chemical Property Profile of 6-sulfanylidene-7,9-dihydro-3H-purin-8-one
Property Insights of 6-sulfanylidene-7,9-dihydro-3H-purin-8-one
The XLogP value of 0.30879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-sulfanylidene-7,9-dihydro-3H-purin-8-one. The TPSA of 77.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-sulfanylidene-7,9-dihydro-3H-purin-8-one. Following Lipinski's Rule of Five, 6-sulfanylidene-7,9-dihydro-3H-purin-8-one 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 6-sulfanylidene-7,9-dihydro-3H-purin-8-one?
The CAS number of 6-sulfanylidene-7,9-dihydro-3H-purin-8-one is 20917-46-8.
What is the molecular formula of 6-sulfanylidene-7,9-dihydro-3H-purin-8-one?
The molecular formula of 6-sulfanylidene-7,9-dihydro-3H-purin-8-one is C5H4N4OS.
What is the molecular weight of 6-sulfanylidene-7,9-dihydro-3H-purin-8-one?
The molecular weight of 6-sulfanylidene-7,9-dihydro-3H-purin-8-one is 168.01 g/mol.
Where can I buy 6-sulfanylidene-7,9-dihydro-3H-purin-8-one?
You can request a quote for 6-sulfanylidene-7,9-dihydro-3H-purin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-sulfanylidene-7,9-dihydro-3H-purin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 6-sulfanylidene-7,9-dihydro-3H-purin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.