7H-Purine-8-thiol
TL;DR: 7H-Purine-8-thiol (CAS 583-40-4) is a chemical compound with molecular formula C5H4N4S and molecular weight 152.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dihydropurine-8-thione
Also Known As: 7H-Purine-8-thiol, 8-Mercaptopurine, Purine-8-thiol, 7,9-dihydropurine-8-thione, 9H-purine-8-thiol
| Molecular Formula | C5H4N4S |
|---|---|
| Molecular Weight | 152.02 g/mol |
| LogP | 1.01549 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.01567 |
| Heavy Atoms | 10 |
| Complexity | 364.9402 |
Chemical Identifiers
| CAS Number | 583-40-4 |
|---|---|
| SMILES | C1=C2C(=NC=N1)NC(=S)N2 |
Product Overview
7H-Purine-8-thiol (CAS 583-40-4), with molecular formula C5H4N4S and molecular weight 152.02 g/mol. IUPAC: 7,9-dihydropurine-8-thione.
Chemical Property Profile of 7H-Purine-8-thiol
Property Insights of 7H-Purine-8-thiol
The XLogP value of 1.01549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Purine-8-thiol. With a topological polar surface area (TPSA) of 57.36 Ų, 7H-Purine-8-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Purine-8-thiol has 2 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 7H-Purine-8-thiol?
The CAS number of 7H-Purine-8-thiol is 583-40-4.
What is the molecular formula of 7H-Purine-8-thiol?
The molecular formula of 7H-Purine-8-thiol is C5H4N4S.
What is the molecular weight of 7H-Purine-8-thiol?
The molecular weight of 7H-Purine-8-thiol is 152.02 g/mol.
Where can I buy 7H-Purine-8-thiol?
You can request a quote for 7H-Purine-8-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Purine-8-thiol?
Yes, KEHONG BIO provides custom synthesis services for 7H-Purine-8-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.