3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole
TL;DR: 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole (CAS 116850-50-1) is a chemical compound with molecular formula C10H10FN3S and molecular weight 223.05795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-fluorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
Also Known As: Iron zinc hydroxide, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole, 3-(2-Fluorophenyl)-4-methyl-5-(methylthio)-1H-1,2,4-triazole, 5-(2-fluorophenyl)-4-methyl-3-methylthio-4H-1,2,4-triazole, 3-(2-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C10H10FN3S |
| Molecular Weight | 223.05795 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.05795 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | CN1C(=NN=C1SC)C2=CC=CC=C2F |
| InChIKey | UJWIBWHLVITCSR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole
Property Insights of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 56.0 Ų, 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-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
What is the CAS number of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole?
The CAS number of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole is 116850-50-1.
What is the molecular formula of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole?
The molecular formula of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole is C10H10FN3S.
What is the molecular weight of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole?
The molecular weight of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole is 223.05795 g/mol.
Where can I buy 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole?
You can request a quote for 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.