![3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione structure](/static/products/7611/76111-27-8.webp)
3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 76111-27-8) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02070609, 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-(4-methylphenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol, 4-Phenyl-5-p-tolyloxymethyl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 76111-27-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3 |
| InChIKey | LNWUGGPDGVUHOY-UHFFFAOYSA-N |
Product Overview
3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 76111-27-8), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.6 indicates that 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 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-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 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-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 76111-27-8.
What is the molecular formula of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione is C16H15N3OS.
What is the molecular weight of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione is 297.09 g/mol.
Where can I buy 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.