2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 81518-26-5) is a chemical compound with molecular formula C14H11N3OS and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-hydroxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-hydroxyphenyl)-4-phenyl-, 2-(4-phenyl-5-thioxo-1,2,4-triazolin-3-yl)phenol, 3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H11N3OS |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0623 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 81518-26-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3O |
| InChIKey | OPECQRMMGCXRAG-UHFFFAOYSA-N |
Product Overview
2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 81518-26-5), with molecular formula C14H11N3OS and molecular weight 269.06 g/mol. IUPAC: 3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione has 2 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 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione is 81518-26-5.
What is the molecular formula of 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione is C14H11N3OS.
What is the molecular weight of 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione is 269.06 g/mol.
Where can I buy 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-(2-hydroxyphenyl)-4-phenyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.