4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 156942-85-7) is a chemical compound with molecular formula C10H12N4OS and molecular weight 236.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-amino-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-amino-5-(4-ethoxyphenyl)-1,2,4-triazole-3-thiol, 4-amino-5-(4-ethoxyphenyl)-4H-[1,2,4]TRIAZOLE-3-thiol, G23661
Technical Specifications
| Molecular Formula | C10H12N4OS |
| Molecular Weight | 236.07318 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07318 Da |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2N |
| InChIKey | XYCKNRBDYPLFBQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 4 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-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 156942-85-7.
What is the molecular formula of 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C10H12N4OS.
What is the molecular weight of 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 236.07318 g/mol.
Where can I buy 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(4-ethoxyphenyl)-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-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.