5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
TL;DR: 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione (CAS 588673-48-7) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-dimethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, BAS 12774048, 3-[(2,5-dimethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-((2,5-Dimethylphenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-(2,5-Dimethylphenoxy)methyl-4-methyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.67353 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 585.67694 |
Chemical Identifiers
| CAS Number | 588673-48-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCC2=NNC(=S)N2C |
Product Overview
5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione (CAS 588673-48-7), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 3-[(2,5-dimethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
Property Insights of 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
The XLogP value of 2.67353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 42.84 Ų, 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione 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-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The CAS number of 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is 588673-48-7.
What is the molecular formula of 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is C12H15N3OS.
What is the molecular weight of 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is 249.09 g/mol.
Where can I buy 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-((2,5-Dimethylphenoxy)methyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.