4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide
TL;DR: 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 525581-97-9) is a chemical compound with molecular formula C12H10N4O2S3 and molecular weight 338.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide
Also Known As: 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-(3-mercapto-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl)benzenesulfonamide, 4-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-(thiophen-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzenesulfonamide, 4-[3-SULFANYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-4-YL]-1-BENZENESULFONAMIDE
| Molecular Formula | C12H10N4O2S3 |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 2.30579 |
| Topological Polar Surface Area | 93.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.99658 |
| Heavy Atoms | 21 |
| Complexity | 921.8003 |
Chemical Identifiers
| CAS Number | 525581-97-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide (CAS 525581-97-9), with molecular formula C12H10N4O2S3 and molecular weight 338.00 g/mol. IUPAC: 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide.
Chemical Property Profile of 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide
Property Insights of 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide
The XLogP value of 2.30579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide. The TPSA of 93.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)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-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide?
The CAS number of 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide is 525581-97-9.
What is the molecular formula of 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular formula of 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide is C12H10N4O2S3.
What is the molecular weight of 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide?
The molecular weight of 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide is 338.00 g/mol.
Where can I buy 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide?
You can request a quote for 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-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-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.