![9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- structure](/static/products/3903/39039-53-7.webp)
9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-
TL;DR: 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- (CAS 39039-53-7) is a chemical compound with molecular formula C13H20N4O5S2 and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-3H-purine-6-thione
Also Known As: 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-, 1-S-Ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiohexitol, 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-3H-purine-6-, 9H-Purine-6-thiol, 9-[D-gluco-1-(ethylthio)-2,3,4,5,6-pentah, 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-3H-purine-6-thione
| Molecular Formula | C13H20N4O5S2 |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | -0.82351 |
| Topological Polar Surface Area | 147.65 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 376.08752 |
| Heavy Atoms | 24 |
| Complexity | 723.6951 |
Chemical Identifiers
| CAS Number | 39039-53-7 |
|---|---|
| SMILES | CCSC(C(C(C(C(CO)O)O)O)O)N1C=NC2=C1NC=NC2=S |
Product Overview
9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- (CAS 39039-53-7), with molecular formula C13H20N4O5S2 and molecular weight 376.09 g/mol. IUPAC: 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-3H-purine-6-thione.
Chemical Property Profile of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-
Property Insights of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-
The XLogP value of -0.82351 indicates that 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.65 Ų indicates high polarity, suggesting 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-?
The CAS number of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- is 39039-53-7.
What is the molecular formula of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-?
The molecular formula of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- is C13H20N4O5S2.
What is the molecular weight of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-?
The molecular weight of 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- is 376.09 g/mol.
Where can I buy 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-?
You can request a quote for 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.