5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 588673-92-1) is a chemical compound with molecular formula C11H12ClN3S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-chlorobenzyl)-4-ethyl-4H-1,2,4-triazole-3-thiol, 5-[(3-Chlorophenyl)methyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-[(3-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole-3-thiol, 3-[(3-chlorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione, 5-[(3-chlorophenyl)methyl]-4-ethyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C11H12ClN3S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 3.20479 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.04405 |
| Heavy Atoms | 16 |
| Complexity | 544.15784 |
Chemical Identifiers
| CAS Number | 588673-92-1 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CC2=CC(=CC=C2)Cl |
Product Overview
5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 588673-92-1), with molecular formula C11H12ClN3S and molecular weight 253.04 g/mol. IUPAC: 3-[(3-chlorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.20479 indicates that 5-((3-Chlorophenyl)methyl)-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 33.61 Ų, 5-((3-Chlorophenyl)methyl)-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-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 2 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-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 588673-92-1.
What is the molecular formula of 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C11H12ClN3S.
What is the molecular weight of 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 253.04 g/mol.
Where can I buy 5-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-((3-Chlorophenyl)methyl)-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-((3-Chlorophenyl)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-Chlorophenyl)methyl)-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.