![4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/7166/7166-97-4.webp)
4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 7166-97-4) is a chemical compound with molecular formula C16H10ClF4N3OS and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(3-chlorophenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione, 4-(3-chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 4-(3-chlorophenyl)-2,4-dihydro-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-
| Molecular Formula | C16H10ClF4N3OS |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 5.48699 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.01694 |
| Heavy Atoms | 26 |
| Complexity | 989.3762 |
Chemical Identifiers
| CAS Number | 7166-97-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(C(F)F)(F)F)C2=NNC(=S)N2C3=CC(=CC=C3)Cl |
Product Overview
4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 7166-97-4), with molecular formula C16H10ClF4N3OS and molecular weight 403.02 g/mol. IUPAC: 4-(3-chlorophenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 5.48699 indicates that 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-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-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is 7166-97-4.
What is the molecular formula of 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is C16H10ClF4N3OS.
What is the molecular weight of 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione is 403.02 g/mol.
Where can I buy 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chlorophenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.