![4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol structure](/static/products/828/828285-15-0.png)
4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
TL;DR: 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol (CAS 828285-15-0) is a chemical compound with molecular formula C14H15F4N3OS and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol, 4-Ethyl-5-(3-((2,2,3,3-tetrafluoropropoxy)methyl)phenyl)-4H-1,2,4-triazole-3-thiol, 4-ethyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione, 4-Ethyl-5-[3-(2,2,3,3-tetrafluoro-propoxymethyl)-phenyl]-4H-[1,2,4]triazole-3-thiol,
4-Ethyl-5-(3-((2,2,3,3-tetrafluoropropoxy)methyl)phenyl)-4H-1,2,4-triazole- 3-thiol
| Molecular Formula | C14H15F4N3OS |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 4.04459 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.0872 |
| Heavy Atoms | 23 |
| Complexity | 714.0431 |
Chemical Identifiers
| CAS Number | 828285-15-0 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC=CC(=C2)COCC(C(F)F)(F)F |
Product Overview
4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol (CAS 828285-15-0), with molecular formula C14H15F4N3OS and molecular weight 349.09 g/mol. IUPAC: 4-ethyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Property Insights of 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.04459 indicates that 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol 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-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol 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-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol is 828285-15-0.
What is the molecular formula of 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol is C14H15F4N3OS.
What is the molecular weight of 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol is 349.09 g/mol.
Where can I buy 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.