5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 114058-90-1) 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.
3-(2-fluorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol, SDCCGMLS-0065264.P001, 3-(2-fluorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione, BB 0217217, 3-(2-fluorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C9H8FN3S |
| Molecular Weight | 209.0423 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.0423 Da |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
| SMILES | CN1C(=NNC1=S)C2=CC=CC=C2F |
| InChIKey | PDGQVFAAASGIDE-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.7 Ų, 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 114058-90-1.
What is the molecular formula of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is C9H8FN3S.
What is the molecular weight of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 209.0423 g/mol.
Where can I buy 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.