4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-
TL;DR: 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)- (CAS 116850-47-6) is a chemical compound with molecular formula C10H10FN3O2S and molecular weight 255.04778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-fluorophenyl)-4-methyl-5-methylsulfonyl-1,2,4-triazole
Also Known As: 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfonyl)-4H-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-, 3-(2-fluorophenyl)-4-methyl-5-methylsulfonyl-1,2,4-triazole, 4-methyl-3-phenyl-5-methylsulfonyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole,3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-
Technical Specifications
| Molecular Formula | C10H10FN3O2S |
| Molecular Weight | 255.04778 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.04778 Da |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
| SMILES | CN1C(=NN=C1S(=O)(=O)C)C2=CC=CC=C2F |
| InChIKey | YGMQOVFCJMPTRH-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-
Property Insights of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-?
The CAS number of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)- is 116850-47-6.
What is the molecular formula of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-?
The molecular formula of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)- is C10H10FN3O2S.
What is the molecular weight of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-?
The molecular weight of 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)- is 255.04778 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-?
You can request a quote for 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-?
Yes, CoreyChem provides custom synthesis services for 4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.