![3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/498/498538-31-1.png)
3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 498538-31-1) is a chemical compound with molecular formula C17H13F3N4OS and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, (E)-5-(phenoxymethyl)-4-((2-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(PHENOXY-ME)4-((2-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)4H-1,2,4-TRIAZOLE-3-THIOL, 4-{(1E)-2-[2-(trifluoromethyl)phenyl]-1-azavinyl}-5-(phenoxymethyl)-1,2,4-tria zole-3-thiol, 5-(phenoxymethyl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H13F3N4OS |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 4.42069 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.0762 |
| Heavy Atoms | 26 |
| Complexity | 963.88446 |
Chemical Identifiers
| CAS Number | 498538-31-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C/C3=CC=CC=C3C(F)(F)F |
Product Overview
3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 498538-31-1), with molecular formula C17H13F3N4OS and molecular weight 378.08 g/mol. IUPAC: 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.42069 indicates that 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 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 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is 498538-31-1.
What is the molecular formula of 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is C17H13F3N4OS.
What is the molecular weight of 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is 378.08 g/mol.
Where can I buy 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.