4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid
TL;DR: 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid (CAS 41018-11-5) is a chemical compound with molecular formula C7H6N4O3S2 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-sulfanylidene-2H-tetrazol-1-yl)benzenesulfonic acid
Also Known As: 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzenesulfonic Acid, 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid, 4-(5-sulfanylidene-4H-1,2,3,4-tetrazol-1-yl)benzenesulfonic acid, 4-(5-Sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)benzene-1-sulfonic acid
| Molecular Formula | C7H6N4O3S2 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 0.57159 |
| Topological Polar Surface Area | 100.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.98813 |
| Heavy Atoms | 16 |
| Complexity | 655.4404 |
Chemical Identifiers
| CAS Number | 41018-11-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=S)N=NN2)S(=O)(=O)O |
Product Overview
4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid (CAS 41018-11-5), with molecular formula C7H6N4O3S2 and molecular weight 257.99 g/mol. IUPAC: 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid
Property Insights of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid
The XLogP value of 0.57159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid. The TPSA of 100.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid. Following Lipinski's Rule of Five, 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid 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-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid?
The CAS number of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid is 41018-11-5.
What is the molecular formula of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid?
The molecular formula of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid is C7H6N4O3S2.
What is the molecular weight of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid?
The molecular weight of 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid is 257.99 g/mol.
Where can I buy 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid?
You can request a quote for 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.