![5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/890/890169-54-7.png)
5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 890169-54-7) is a chemical compound with molecular formula C11H12ClN3OS and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, ART-CHEM-BB B018004, 6158AE, 3-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione, Y-0979
| Molecular Formula | C11H12ClN3OS |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.01851 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.03897 |
| Heavy Atoms | 17 |
| Complexity | 590.64276 |
Chemical Identifiers
| CAS Number | 890169-54-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC2=NNC(=S)N2C |
Product Overview
5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 890169-54-7), with molecular formula C11H12ClN3OS and molecular weight 269.04 g/mol. IUPAC: 3-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.01851 indicates that 5-[(4-chloro-2-methylphenoxy)methyl]-4-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, 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-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-chloro-2-methylphenoxy)methyl]-4-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 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 890169-54-7.
What is the molecular formula of 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is C11H12ClN3OS.
What is the molecular weight of 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 269.04 g/mol.
Where can I buy 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(4-chloro-2-methylphenoxy)methyl]-4-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 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-chloro-2-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.