5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile
TL;DR: 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile (CAS 91130-15-3) is a chemical compound with molecular formula C10H11N5S and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile
Also Known As: NCIOpen2_003903, 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile, 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile
| Molecular Formula | C10H11N5S |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.18277 |
| Topological Polar Surface Area | 70.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.07352 |
| Heavy Atoms | 16 |
| Complexity | 576.6423 |
Chemical Identifiers
| CAS Number | 91130-15-3 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)CCCCC#N |
Product Overview
5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile (CAS 91130-15-3), with molecular formula C10H11N5S and molecular weight 233.07 g/mol. IUPAC: 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile.
Chemical Property Profile of 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile
Property Insights of 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile
The XLogP value of 2.18277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile. The TPSA of 70.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile. Following Lipinski's Rule of Five, 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile has 1 hydrogen bond donor(s) and 4 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 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile?
The CAS number of 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile is 91130-15-3.
What is the molecular formula of 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile?
The molecular formula of 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile is C10H11N5S.
What is the molecular weight of 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile?
The molecular weight of 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile is 233.07 g/mol.
Where can I buy 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile?
You can request a quote for 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.