6,8-Dimercaptopurine
TL;DR: 6,8-Dimercaptopurine (CAS 24079-37-6) is a chemical compound with molecular formula C5H4N4S2 and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dihydro-3H-purine-6,8-dithione
Also Known As: 6,8-dithiopurine, 6,8-DIMERCAPTOPURINE, Purine-6,8-dithiol, 7,9-dihydro-3H-purine-6,8-dithione, 7,9-dihydro-1H-purine-6,8-dithione
| Molecular Formula | C5H4N4S2 |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 1.67808 |
| Topological Polar Surface Area | 60.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98773 |
| Heavy Atoms | 11 |
| Complexity | 490.642 |
Chemical Identifiers
| CAS Number | 24079-37-6 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)NC(=S)N2 |
Product Overview
6,8-Dimercaptopurine (CAS 24079-37-6), with molecular formula C5H4N4S2 and molecular weight 183.99 g/mol. IUPAC: 7,9-dihydro-3H-purine-6,8-dithione.
Chemical Property Profile of 6,8-Dimercaptopurine
Property Insights of 6,8-Dimercaptopurine
The XLogP value of 1.67808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dimercaptopurine. The TPSA of 60.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dimercaptopurine. Following Lipinski's Rule of Five, 6,8-Dimercaptopurine 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 6,8-Dimercaptopurine?
The CAS number of 6,8-Dimercaptopurine is 24079-37-6.
What is the molecular formula of 6,8-Dimercaptopurine?
The molecular formula of 6,8-Dimercaptopurine is C5H4N4S2.
What is the molecular weight of 6,8-Dimercaptopurine?
The molecular weight of 6,8-Dimercaptopurine is 183.99 g/mol.
Where can I buy 6,8-Dimercaptopurine?
You can request a quote for 6,8-Dimercaptopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dimercaptopurine?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dimercaptopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.