![5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole structure](/static/products/577/577764-74-0.png)
5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole
TL;DR: 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole (CAS 577764-74-0) is a chemical compound with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
Also Known As: AJ-292/42350983, 3-((5-chloro-2-methoxybenzyl)thio)-5-ethyl-4H-1,2,4-triazole, 3-[(5-chloro-2-methoxybenzyl)thio]-5-ethyl-4H-1,2,4-triazole, 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole, 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole
| Molecular Formula | C12H14ClN3OS |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.0546 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 577764-74-0 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC2=C(C=CC(=C2)Cl)OC |
| InChIKey | LAUSKOUGFSFMMF-UHFFFAOYSA-N |
Product Overview
5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole (CAS 577764-74-0), with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol. IUPAC: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole
Property Insights of 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole
The XLogP value of 3.8 indicates that 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 4 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-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole?
The CAS number of 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole is 577764-74-0.
What is the molecular formula of 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole?
The molecular formula of 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole is C12H14ClN3OS.
What is the molecular weight of 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole?
The molecular weight of 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole is 283.05 g/mol.
Where can I buy 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole?
You can request a quote for 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(5-chloro-2-methoxybenzyl)sulfanyl]-3-ethyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.