3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol
TL;DR: 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol (CAS 90429-14-4) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol, Benzenedecanoic acid,3,4-dimethoxy, 3-(2-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione, BAS 02138724
| Molecular Formula | C15H13N3OS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07794 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 90429-14-4 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NNC(=S)N2C3=CC=CC=C3 |
| InChIKey | QFYMYTCWMJUZSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol (CAS 90429-14-4), with molecular formula C15H13N3OS and molecular weight 283.08 g/mol. IUPAC: 3-(2-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol
Property Insights of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol
The XLogP value of 3.2 indicates that 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol. Following Lipinski's Rule of Five, 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-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
Frequently Asked Questions
What is the CAS number of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol?
The CAS number of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol is 90429-14-4.
What is the molecular formula of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol?
The molecular formula of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol is C15H13N3OS.
What is the molecular weight of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol?
The molecular weight of 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol is 283.08 g/mol.
Where can I buy 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol?
You can request a quote for 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxyphenyl)-4-phenyl-1,2,4-triazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.