![5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/6401/64013-53-2.webp)
5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 64013-53-2) 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.
3-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol, INDANE-5-SULFONYLCHLORIDE, 5-((2,6-Dimethylphenoxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 5-(2,6-dimethylphenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H17N3OS |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 4.12573 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.10922 |
| Heavy Atoms | 22 |
| Complexity | 816.3604 |
Chemical Identifiers
| CAS Number | 64013-53-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2C3=CC=CC=C3 |
Product Overview
5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 64013-53-2), with molecular formula C17H17N3OS and molecular weight 311.11 g/mol. IUPAC: 3-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.12573 indicates that 5-[(2,6-dimethylphenoxy)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 42.84 Ų, 5-[(2,6-dimethylphenoxy)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-[(2,6-dimethylphenoxy)methyl]-4-phenyl-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 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 64013-53-2.
What is the molecular formula of 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is C17H17N3OS.
What is the molecular weight of 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 311.11 g/mol.
Where can I buy 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(2,6-dimethylphenoxy)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-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.