![4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/5440/54402-61-8.webp)
4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 54402-61-8) is a chemical compound with molecular formula C14H17N3OS and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,3-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, ART-CHEM-BBB018088, 7808AE, BAS 08863758, 2-(Pyridin-2-ylmethoxy)-benzaldehyde
| Molecular Formula | C14H17N3OS |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.32253 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.10922 |
| Heavy Atoms | 19 |
| Complexity | 642.3809 |
Chemical Identifiers
| CAS Number | 54402-61-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC2=NNC(=S)N2CC=C)C |
Product Overview
4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 54402-61-8), with molecular formula C14H17N3OS and molecular weight 275.11 g/mol. IUPAC: 3-[(2,3-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.32253 indicates that 4-allyl-5-[(2,3-dimethylphenoxy)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-allyl-5-[(2,3-dimethylphenoxy)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-allyl-5-[(2,3-dimethylphenoxy)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-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 54402-61-8.
What is the molecular formula of 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is C14H17N3OS.
What is the molecular weight of 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 275.11 g/mol.
Where can I buy 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-[(2,3-dimethylphenoxy)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-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.