5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 286009-80-1) is a chemical compound with molecular formula C13H9ClN4S and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 3-(4-chlorophenyl)-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione, A4129/0176057, 3-(4-Chlorophenyl)-4-(3-pyridyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione, 5-(4-chlorophenyl)-4-(3-pyridyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C13H9ClN4S |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 3.64529 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.02365 |
| Heavy Atoms | 19 |
| Complexity | 746.31934 |
Chemical Identifiers
| CAS Number | 286009-80-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl |
Product Overview
5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 286009-80-1), with molecular formula C13H9ClN4S and molecular weight 288.02 g/mol. IUPAC: 3-(4-chlorophenyl)-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.64529 indicates that 5-(4-chlorophenyl)-4-(pyridin-3-yl)-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 46.5 Ų, 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-4-(pyridin-3-yl)-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-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 286009-80-1.
What is the molecular formula of 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is C13H9ClN4S.
What is the molecular weight of 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 288.02 g/mol.
Where can I buy 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-chlorophenyl)-4-(pyridin-3-yl)-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-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.