6-Thioinosine
TL;DR: 6-Thioinosine (CAS 4988-64-1) is a chemical compound with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Also Known As: 6-Thioinosine, THIOINOSINE, 6-mercaptopurine riboside, Thionosine, Tioinosine
| Molecular Formula | C10H12N4O4S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.05792 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 4988-64-1 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | NKGPJODWTZCHGF-KQYNXXCUSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Thioinosine (CAS 4988-64-1), with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol. IUPAC: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione.
Chemical Property Profile of 6-Thioinosine
Property Insights of 6-Thioinosine
The XLogP value of -0.6 indicates that 6-Thioinosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 6-Thioinosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Thioinosine has 4 hydrogen bond donor(s) and 6 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-Thioinosine?
The CAS number of 6-Thioinosine is 4988-64-1.
What is the molecular formula of 6-Thioinosine?
The molecular formula of 6-Thioinosine is C10H12N4O4S.
What is the molecular weight of 6-Thioinosine?
The molecular weight of 6-Thioinosine is 284.06 g/mol.
Where can I buy 6-Thioinosine?
You can request a quote for 6-Thioinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thioinosine?
Yes, KEHONG BIO provides custom synthesis services for 6-Thioinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.