![O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate structure](/static/products/3342/3342-89-0.webp)
O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate
TL;DR: O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate (CAS 3342-89-0) is a chemical compound with molecular formula C11H15N5OS2 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate
Also Known As: O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate, O-[5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentyl] carbamothioate
| Molecular Formula | C11H15N5OS2 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.91939 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.0718 |
| Heavy Atoms | 19 |
| Complexity | 620.81824 |
Chemical Identifiers
| CAS Number | 3342-89-0 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)CCCCCOC(=S)N |
Product Overview
O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate (CAS 3342-89-0), with molecular formula C11H15N5OS2 and molecular weight 297.07 g/mol. IUPAC: O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate.
Chemical Property Profile of O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate
Property Insights of O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate
The XLogP value of 1.91939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate. Following Lipinski's Rule of Five, O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate has 2 hydrogen bond donor(s) and 5 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 O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate?
The CAS number of O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate is 3342-89-0.
What is the molecular formula of O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate?
The molecular formula of O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate is C11H15N5OS2.
What is the molecular weight of O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate?
The molecular weight of O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate is 297.07 g/mol.
Where can I buy O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate?
You can request a quote for O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.