![3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione structure](/static/products/1024/1024387-54-9.webp)
3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
TL;DR: 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 1024387-54-9) is a chemical compound with molecular formula C16H14ClN3OS and molecular weight 331.0546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 3-((2-CHLORO-5-METHYLPHENOXY)METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE, 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-1,2,4-triazoline-5-thione, 3-[(2-chloro-5-methyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C16H14ClN3OS |
| Molecular Weight | 331.0546 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0546 Da |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
| SMILES | CC1=CC(=C(C=C1)Cl)OCC2=NNC(=S)N2C3=CC=CC=C3 |
| InChIKey | CQJSXRLMHWDEDR-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Property Insights of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
The XLogP value of 4.2 indicates that 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-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
What is the CAS number of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione is 1024387-54-9.
What is the molecular formula of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione is C16H14ClN3OS.
What is the molecular weight of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione is 331.0546 g/mol.
Where can I buy 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 3-[(2-chloro-5-methylphenoxy)methyl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.