![4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide structure](/static/products/1927/19271-00-2.webp)
4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide
TL;DR: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide (CAS 19271-00-2) is a chemical compound with molecular formula C12H11N5O2S2 and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide
Also Known As: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide, .alpha.-[9H-Purine-6-thiol-9-yl]-p-toluenesulfonamide, 4-[(6-Sulfanyl-9H-purin-9-yl)methyl]benzenesulfonamide #, 4-(6-thioxo-1,6-dihydro-purin-9-ylmethyl)-benzenesulfonamide, 4-[(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)methyl]benzene-1-sulfonamide
| Molecular Formula | C12H11N5O2S2 |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 1.18459 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.03543 |
| Heavy Atoms | 21 |
| Complexity | 957.2265 |
Chemical Identifiers
| CAS Number | 19271-00-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=S)S(=O)(=O)N |
Product Overview
4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide (CAS 19271-00-2), with molecular formula C12H11N5O2S2 and molecular weight 321.04 g/mol. IUPAC: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide.
Chemical Property Profile of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide
Property Insights of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide
The XLogP value of 1.18459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide. Following Lipinski's Rule of Five, 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide 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 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide?
The CAS number of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide is 19271-00-2.
What is the molecular formula of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide?
The molecular formula of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide is C12H11N5O2S2.
What is the molecular weight of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide?
The molecular weight of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide is 321.04 g/mol.
Where can I buy 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide?
You can request a quote for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.