![4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/3466/346641-16-5.webp)
4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 346641-16-5) is a chemical compound with molecular formula C17H17N3OS and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-Benzyl-5-((o-tolyloxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, AO-080/12503146, 4H-1,2,4-triazole-3-thiol, 5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-
| Molecular Formula | C17H17N3OS |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 3.87641 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.10922 |
| Heavy Atoms | 22 |
| Complexity | 808.0263 |
Chemical Identifiers
| CAS Number | 346641-16-5 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NNC(=S)N2CC3=CC=CC=C3 |
Product Overview
4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 346641-16-5), with molecular formula C17H17N3OS and molecular weight 311.11 g/mol. IUPAC: 4-benzyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.87641 indicates that 4-benzyl-5-[(2-methylphenoxy)methyl]-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 42.84 Ų, 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-5-[(2-methylphenoxy)methyl]-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
Frequently Asked Questions
What is the CAS number of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 346641-16-5.
What is the molecular formula of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is C17H17N3OS.
What is the molecular weight of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 311.11 g/mol.
Where can I buy 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-benzyl-5-[(2-methylphenoxy)methyl]-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 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.