1-(p-Toluenesulfonyl)-1,2,4-triazole
TL;DR: 1-(p-Toluenesulfonyl)-1,2,4-triazole (CAS 13578-51-3) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonyl-1,2,4-triazole
Also Known As: 1-Tosyl-1H-1,2,4-triazole, 1-(4-Methylphenylsulfonyl)-1,2,4-triazole, Posaconazole Impurity 153, 1-(4-methylphenyl)sulfonyl-1,2,4-triazole, 1-Tosyl-1,2,4-triazole
Technical Specifications
| Molecular Formula | C9H9N3O2S |
| Molecular Weight | 223.04155 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04155 Da |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=N2 |
| InChIKey | GFWABQNSSIQCLB-UHFFFAOYSA-N |
Chemical Property Profile of 1-(p-Toluenesulfonyl)-1,2,4-triazole
Property Insights of 1-(p-Toluenesulfonyl)-1,2,4-triazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Toluenesulfonyl)-1,2,4-triazole. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(p-Toluenesulfonyl)-1,2,4-triazole. Following Lipinski's Rule of Five, 1-(p-Toluenesulfonyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(p-Toluenesulfonyl)-1,2,4-triazole?
The CAS number of 1-(p-Toluenesulfonyl)-1,2,4-triazole is 13578-51-3.
What is the molecular formula of 1-(p-Toluenesulfonyl)-1,2,4-triazole?
The molecular formula of 1-(p-Toluenesulfonyl)-1,2,4-triazole is C9H9N3O2S.
What is the molecular weight of 1-(p-Toluenesulfonyl)-1,2,4-triazole?
The molecular weight of 1-(p-Toluenesulfonyl)-1,2,4-triazole is 223.04155 g/mol.
Where can I buy 1-(p-Toluenesulfonyl)-1,2,4-triazole?
You can request a quote for 1-(p-Toluenesulfonyl)-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(p-Toluenesulfonyl)-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 1-(p-Toluenesulfonyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.