![5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol structure](/static/products/1538/153881-54-0.webp)
5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 153881-54-0) is a chemical compound with molecular formula C11H11Cl2N3OS and molecular weight 303.0 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2,4-dichlorophenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-[(2,4-dichlorophenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione, 5-((2,4-Dichlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 1-(2-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde, 5-(2,4-Dichlorophenoxy)methyl-4-ethyl-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C11H11Cl2N3OS |
| Molecular Weight | 303.0 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0 Da |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
| SMILES | CCN1C(=NNC1=S)COC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | USHGSLFXEXZTBJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.3 indicates that 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-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
What is the CAS number of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol is 153881-54-0.
What is the molecular formula of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol is C11H11Cl2N3OS.
What is the molecular weight of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol is 303.0 g/mol.
Where can I buy 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-[(2,4-dichlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.