![4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione structure](/static/products/828/828282-40-2.png)
4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione (CAS 828282-40-2) is a chemical compound with molecular formula C18H15F4N3OS and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione, 4-(2-phenylethyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol, 4-phenethyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione, 4-phenethyl-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2H-1,2,4-triazole-3-thione, 4-PHENETHYL-5-[3-(1,1,2,2-TETRAFLUOROETHOXY)PHENYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C18H15F4N3OS |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 5.08709 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.0872 |
| Heavy Atoms | 27 |
| Complexity | 956.49554 |
Chemical Identifiers
| CAS Number | 828282-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC(=CC=C3)OC(C(F)F)(F)F |
Product Overview
4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione (CAS 828282-40-2), with molecular formula C18H15F4N3OS and molecular weight 397.09 g/mol. IUPAC: 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 5.08709 indicates that 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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 42.84 Ų, 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione is 828282-40-2.
What is the molecular formula of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione is C18H15F4N3OS.
What is the molecular weight of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione is 397.09 g/mol.
Where can I buy 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-phenylethyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.