![5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/5886/588673-89-6.webp)
5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 588673-89-6) is a chemical compound with molecular formula C12H13Cl2N3OS and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2,4-dichlorophenoxy)ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[1-(2,4-dichlorophenoxy)ethyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-[1-(2,4-dichlorophenoxy)ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione, 5-(1-(2,4-Dichlorophenoxy)ethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-[(2,4-dichlorophenoxy)ethyl]-4-ethyl-1,2,4-triazole-3-thiol, 5-[1-(2,4-dichlorophenoxy)ethyl]-4-ethyl-1,2,4-triazole-3-thiol
| Molecular Formula | C12H13Cl2N3OS |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 4.40739 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.01562 |
| Heavy Atoms | 19 |
| Complexity | 638.145 |
Chemical Identifiers
| CAS Number | 588673-89-6 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C(C)OC2=C(C=C(C=C2)Cl)Cl |
Product Overview
5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 588673-89-6), with molecular formula C12H13Cl2N3OS and molecular weight 317.02 g/mol. IUPAC: 3-[1-(2,4-dichlorophenoxy)ethyl]-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.40739 indicates that 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 588673-89-6.
What is the molecular formula of 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C12H13Cl2N3OS.
What is the molecular weight of 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 317.02 g/mol.
Where can I buy 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(2,4-Dichlorophenoxy)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.