2-ethyl-6-thiopurine
TL;DR: 2-ethyl-6-thiopurine (CAS 6223-74-1) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3,7-dihydropurine-6-thione
Also Known As: 2-ethyl-6-thiopurine, 2-ethyl-3,7-dihydropurine-6-thione, 2-ethyl-3,7-dihydro-6H-purine-6-thione, 6H-Purine-6-thione, 2-ethyl-1,9-dihydro-, RefChem:314047
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.57789 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 455.61948 |
Chemical Identifiers
| CAS Number | 6223-74-1 |
|---|---|
| SMILES | CCC1=NC(=S)C2=C(N1)N=CN2 |
Product Overview
2-ethyl-6-thiopurine (CAS 6223-74-1), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 2-ethyl-3,7-dihydropurine-6-thione.
Chemical Property Profile of 2-ethyl-6-thiopurine
Property Insights of 2-ethyl-6-thiopurine
The XLogP value of 1.57789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyl-6-thiopurine. With a topological polar surface area (TPSA) of 57.36 Ų, 2-ethyl-6-thiopurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-6-thiopurine 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 2-ethyl-6-thiopurine?
The CAS number of 2-ethyl-6-thiopurine is 6223-74-1.
What is the molecular formula of 2-ethyl-6-thiopurine?
The molecular formula of 2-ethyl-6-thiopurine is C7H8N4S.
What is the molecular weight of 2-ethyl-6-thiopurine?
The molecular weight of 2-ethyl-6-thiopurine is 180.05 g/mol.
Where can I buy 2-ethyl-6-thiopurine?
You can request a quote for 2-ethyl-6-thiopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl-6-thiopurine?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-6-thiopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.