9H-Purine-6-thiol, 9-pentyl-
TL;DR: 9H-Purine-6-thiol, 9-pentyl- (CAS 91060-50-3) is a chemical compound with molecular formula C10H14N4S and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-pentyl-3H-purine-6-thione
Also Known As: 9-pentyl-3H-purine-6-thione, 9H-Purine-6-thiol, 9-pentyl-, 6H-Purine-6-thione,9-dihydro-9-pentyl-, 9-Pentyl-3,9-dihydro-6H-purine-6-thione, 6H-Purine-6-thione, 1,9-dihydro-9-pentyl-
| Molecular Formula | C10H14N4S |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.67909 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.09392 |
| Heavy Atoms | 15 |
| Complexity | 499.33685 |
Chemical Identifiers
| CAS Number | 91060-50-3 |
|---|---|
| SMILES | CCCCCN1C=NC2=C1NC=NC2=S |
Product Overview
9H-Purine-6-thiol, 9-pentyl- (CAS 91060-50-3), with molecular formula C10H14N4S and molecular weight 222.09 g/mol. IUPAC: 9-pentyl-3H-purine-6-thione.
Chemical Property Profile of 9H-Purine-6-thiol, 9-pentyl-
Property Insights of 9H-Purine-6-thiol, 9-pentyl-
The XLogP value of 2.67909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-6-thiol, 9-pentyl-. With a topological polar surface area (TPSA) of 46.5 Ų, 9H-Purine-6-thiol, 9-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purine-6-thiol, 9-pentyl- has 1 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 9H-Purine-6-thiol, 9-pentyl-?
The CAS number of 9H-Purine-6-thiol, 9-pentyl- is 91060-50-3.
What is the molecular formula of 9H-Purine-6-thiol, 9-pentyl-?
The molecular formula of 9H-Purine-6-thiol, 9-pentyl- is C10H14N4S.
What is the molecular weight of 9H-Purine-6-thiol, 9-pentyl-?
The molecular weight of 9H-Purine-6-thiol, 9-pentyl- is 222.09 g/mol.
Where can I buy 9H-Purine-6-thiol, 9-pentyl-?
You can request a quote for 9H-Purine-6-thiol, 9-pentyl- 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, 9-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6-thiol, 9-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.