5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 482652-58-4) is a chemical compound with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloroanilino)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02138624, 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-[(4-Chloro-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazole-3-thiol, 3-[(4-chloroanilino)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione, 5-[(4-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H13ClN4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 3.22609 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.05493 |
| Heavy Atoms | 17 |
| Complexity | 543.34424 |
Chemical Identifiers
| CAS Number | 482652-58-4 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CNC2=CC=C(C=C2)Cl |
Product Overview
5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 482652-58-4), with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol. IUPAC: 3-[(4-chloroanilino)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.22609 indicates that 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-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 45.64 Ų, 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-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)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol has 2 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)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 482652-58-4.
What is the molecular formula of 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol is C11H13ClN4S.
What is the molecular weight of 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol is 268.05 g/mol.
Where can I buy 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-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)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-Chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.