4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 539809-02-4) 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-(2,4-dimethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,4-Dimethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5(4H)-thione, 4-(2,4-Dimethyl-phenyl)-5-phenoxymethyl-4H-[1,2,4]triazole-3-thiol, 4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, 4-(2,4-dimethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, 4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-2H-1,2,4-triazole-3-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 | 836.6104 |
Chemical Identifiers
| CAS Number | 539809-02-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3)C |
Product Overview
4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 539809-02-4), with molecular formula C17H17N3OS and molecular weight 311.11 g/mol. IUPAC: 4-(2,4-dimethylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 4.12573 indicates that 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-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 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 539809-02-4.
What is the molecular formula of 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C17H17N3OS.
What is the molecular weight of 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 311.11 g/mol.
Where can I buy 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-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 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dimethylphenyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.