1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
TL;DR: 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)- (CAS 116850-62-5) is a chemical compound with molecular formula C9H8FN3S and molecular weight 209.0423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-, 3-(4-Fluorophenyl)-5-(methylthio)-1H-1,2,4-triazole, 5-(4-fluorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole,3-(4-fluorophenyl)-5-(methylthio)-, 5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C9H8FN3S |
| Molecular Weight | 209.0423 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0423 Da |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
| SMILES | CSC1=NNC(=N1)C2=CC=C(C=C2)F |
| InChIKey | XGIQPISRUKLECF-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
Property Insights of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)- 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
What is the CAS number of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-?
The CAS number of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)- is 116850-62-5.
What is the molecular formula of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-?
The molecular formula of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)- is C9H8FN3S.
What is the molecular weight of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-?
The molecular weight of 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)- is 209.0423 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-?
You can request a quote for 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.