![5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/1079/107951-97-3.webp)
5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 107951-97-3) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-[(4-methoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 3-Bromo-4-chloro-benzoic acid methyl ester, 5-(4-methoxyphenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-[(4-methoxyphenoxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.51749 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 794.2632 |
Chemical Identifiers
| CAS Number | 107951-97-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3 |
Product Overview
5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 107951-97-3), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 3-[(4-methoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.51749 indicates that 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 107951-97-3.
What is the molecular formula of 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is C16H15N3O2S.
What is the molecular weight of 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 313.09 g/mol.
Where can I buy 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.