![3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide structure](/static/products/3804/380436-89-5.webp)
3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide
TL;DR: 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide (CAS 380436-89-5) is a chemical compound with molecular formula C18H20N4O2S2 and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,6-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide
Also Known As: 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide, 3-[4-(2,6-Dimethyl-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-N,N-dimethyl-benzenesulfonamide, 3-[4-(2,6-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide, 3-[4-(2,6-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide, C18H20N4O2S2
| Molecular Formula | C18H20N4O2S2 |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 3.46403 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10278 |
| Heavy Atoms | 26 |
| Complexity | 1107.838 |
Chemical Identifiers
| CAS Number | 380436-89-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=NNC2=S)C3=CC(=CC=C3)S(=O)(=O)N(C)C |
Product Overview
3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide (CAS 380436-89-5), with molecular formula C18H20N4O2S2 and molecular weight 388.10 g/mol. IUPAC: 3-[4-(2,6-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide
Property Insights of 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide
The XLogP value of 3.46403 indicates that 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide 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 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide?
The CAS number of 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide is 380436-89-5.
What is the molecular formula of 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide?
The molecular formula of 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide is C18H20N4O2S2.
What is the molecular weight of 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide?
The molecular weight of 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide is 388.10 g/mol.
Where can I buy 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide?
You can request a quote for 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.