5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 885460-05-9) is a chemical compound with molecular formula C16H14FN3OS and molecular weight 315.08417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol, UPCMLD0ENAT5894421:001, 3-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione, 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-2H-1,2,4-triazole-3-thione, G76228
Technical Specifications
| Molecular Formula | C16H14FN3OS |
| Molecular Weight | 315.08417 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.08417 Da |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3F |
| InChIKey | LOAGSXQDALKPNJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.6 indicates that 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol 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 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 885460-05-9.
What is the molecular formula of 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C16H14FN3OS.
What is the molecular weight of 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 315.08417 g/mol.
Where can I buy 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-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-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.