4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 108088-19-3) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 8-Methoxy-chroman-3-carboxylic acid, BAS 02563168, BIM-0010570.P001, 4-ethyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C11H13N3OS |
| Molecular Weight | 235.07793 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07793 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | CCN1C(=NNC1=S)C2=CC=C(C=C2)OC |
| InChIKey | NAIPWRRJIAVUOG-UHFFFAOYSA-N |
Chemical Property Profile of 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-ethyl-5-(4-methoxyphenyl)-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 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 108088-19-3.
What is the molecular formula of 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C11H13N3OS.
What is the molecular weight of 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 235.07793 g/mol.
Where can I buy 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-ethyl-5-(4-methoxyphenyl)-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 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.