3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione
TL;DR: 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 694461-58-0) is a chemical compound with molecular formula C11H12FN3OS and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione, F0919-4745, 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione, 3-(4-fluorophenyl)-4-(2-methoxyethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione, 5-(4-fluorophenyl)-4-(2-methoxyethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C11H12FN3OS |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.39319 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.06851 |
| Heavy Atoms | 17 |
| Complexity | 546.58936 |
Chemical Identifiers
| CAS Number | 694461-58-0 |
|---|---|
| SMILES | COCCN1C(=NNC1=S)C2=CC=C(C=C2)F |
Product Overview
3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 694461-58-0), with molecular formula C11H12FN3OS and molecular weight 253.07 g/mol. IUPAC: 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione
Property Insights of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione
The XLogP value of 2.39319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione. With a topological polar surface area (TPSA) of 42.84 Ų, 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione 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
Frequently Asked Questions
What is the CAS number of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione?
The CAS number of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione is 694461-58-0.
What is the molecular formula of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione?
The molecular formula of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione is C11H12FN3OS.
What is the molecular weight of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione?
The molecular weight of 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione is 253.07 g/mol.
Where can I buy 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione?
You can request a quote for 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.