![4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/1413/14132-86-6.webp)
4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 14132-86-6) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, AB00761753-01, AB00761753-02
Technical Specifications
| Molecular Formula | C9H9N3OS |
| Molecular Weight | 207.04663 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04663 Da |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
| SMILES | COC1=CC=C(C=C1)N2C=NNC2=S |
| InChIKey | AORBDCJKXDLPCC-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxy-phenyl)-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-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-Methoxy-phenyl)-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-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol is 14132-86-6.
What is the molecular formula of 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol is C9H9N3OS.
What is the molecular weight of 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol is 207.04663 g/mol.
Where can I buy 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-(4-Methoxy-phenyl)-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-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-(4-Methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.