5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 720667-75-4) is a chemical compound with molecular formula C14H9ClFN3S and molecular weight 305.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 3-(3-chlorophenyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione, 5-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazole-3-thiol, 5-(3-chlorophenyl)-4-(4-fluorophenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione
| Molecular Formula | C14H9ClFN3S |
|---|---|
| Molecular Weight | 305.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.01898 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 720667-75-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2C3=CC=C(C=C3)F |
| InChIKey | LUYNRRWMVKSISV-UHFFFAOYSA-N |
Product Overview
5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 720667-75-4), with molecular formula C14H9ClFN3S and molecular weight 305.02 g/mol. IUPAC: 3-(3-chlorophenyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.9 indicates that 5-(3-Chlorophenyl)-4-(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, 5-(3-Chlorophenyl)-4-(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, 5-(3-Chlorophenyl)-4-(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 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 720667-75-4.
What is the molecular formula of 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C14H9ClFN3S.
What is the molecular weight of 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 305.02 g/mol.
Where can I buy 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-Chlorophenyl)-4-(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 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.