4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 353287-91-9) is a chemical compound with molecular formula C15H12FN3S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione, 4-Benzyl-5-(4-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-benzyl-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-BENZYL-3-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C15H12FN3S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0736 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 353287-91-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)F |
| InChIKey | ZWHNHBVCPYHKQL-UHFFFAOYSA-N |
Product Overview
4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 353287-91-9), with molecular formula C15H12FN3S and molecular weight 285.07 g/mol. IUPAC: 4-benzyl-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.2 indicates that 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-5-(4-fluorophenyl)-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
Frequently Asked Questions
What is the CAS number of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 353287-91-9.
What is the molecular formula of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C15H12FN3S.
What is the molecular weight of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 285.07 g/mol.
Where can I buy 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.