3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole (CAS 3588-96-3) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonyl-4-phenyl-1,2,4-triazole
Also Known As: ChemDiv2_000457, 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole, 3-mesyl-4-phenyl-1,2,4-triazole, 3-methylsulfonyl-4-phenyl-1,2,4-triazole, SDCCGMLS-0064414.P001
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 0.6708 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 560.0532 |
Chemical Identifiers
| CAS Number | 3588-96-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=NN=CN1C2=CC=CC=C2 |
Product Overview
3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole (CAS 3588-96-3), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: 3-methylsulfonyl-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 0.6708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(methylsulfonyl)-4-phenyl-4H-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
Frequently Asked Questions
What is the CAS number of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole is 3588-96-3.
What is the molecular formula of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole is C9H9N3O2S.
What is the molecular weight of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole is 223.04 g/mol.
Where can I buy 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylsulfonyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.