4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol
TL;DR: 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol (CAS 512825-06-8) is a chemical compound with molecular formula C18H15ClFN3S and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione
Also Known As: BB 0262535, 4-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione, 4-(3-Chloro-4-fluorophenyl)-5-(2-p-tolylcyclopropyl)-4H-1,2,4-triazole-3-thiol, 4-(3-chloro-4-fluorophenyl)-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazole-3-thiol, 108-846-3
| Molecular Formula | C18H15ClFN3S |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 5.30191 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.06592 |
| Heavy Atoms | 24 |
| Complexity | 961.1404 |
Chemical Identifiers
| CAS Number | 512825-06-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC2C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl |
Product Overview
4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol (CAS 512825-06-8), with molecular formula C18H15ClFN3S and molecular weight 359.07 g/mol. IUPAC: 4-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol
Property Insights of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol
The XLogP value of 5.30191 indicates that 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-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 33.61 Ų, 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol?
The CAS number of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol is 512825-06-8.
What is the molecular formula of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol?
The molecular formula of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol is C18H15ClFN3S.
What is the molecular weight of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol?
The molecular weight of 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol is 359.07 g/mol.
Where can I buy 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol?
You can request a quote for 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-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-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-4-Fluorophenyl)-5-(2-P-Tolylcyclopropyl)-4H-1,2,4-Triazole-3-Thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.