4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide
TL;DR: 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CAS 3414-97-9) is a chemical compound with molecular formula C8H8N4O2S2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzenesulfonamide
Also Known As: 4- benzenesulfonamide, 1H-1,2,4-Triazole-3-thiol, 5-(p-sulfamoylphenyl)-, 3-phenyl-1H-1,2,4-triazole-5-thiol, 5-(p-Sulfamoylphenyl)-1H-1,2,4-triazole-3-thiol, Benzenesulfonamide, p-(5-mercapto-s-triazol-3-yl)-
| Molecular Formula | C8H8N4O2S2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 0.78169 |
| Topological Polar Surface Area | 104.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.00888 |
| Heavy Atoms | 16 |
| Complexity | 653.8468 |
Chemical Identifiers
| CAS Number | 3414-97-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN2)S(=O)(=O)N |
Product Overview
4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CAS 3414-97-9), with molecular formula C8H8N4O2S2 and molecular weight 256.01 g/mol. IUPAC: 4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)benzenesulfonamide.
Chemical Property Profile of 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide
Property Insights of 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide
The XLogP value of 0.78169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide. The TPSA of 104.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide has 3 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 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The CAS number of 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide is 3414-97-9.
What is the molecular formula of 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The molecular formula of 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide is C8H8N4O2S2.
What is the molecular weight of 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The molecular weight of 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide is 256.01 g/mol.
Where can I buy 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
You can request a quote for 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide 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-1,2,4-triazol-3-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.