3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide
TL;DR: 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide (CAS 4708-91-2) is a chemical compound with molecular formula C17H9F6N3S and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine
Also Known As: 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide, 3-phenyl-6-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine, 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine, 3-phenyl-6-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]-1,2,4-triazine
| Molecular Formula | C17H9F6N3S |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 5.7274 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.04214 |
| Heavy Atoms | 27 |
| Complexity | 941.38904 |
Chemical Identifiers
| CAS Number | 4708-91-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(N=N2)C(F)(F)F)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide (CAS 4708-91-2), with molecular formula C17H9F6N3S and molecular weight 401.04 g/mol. IUPAC: 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine.
Chemical Property Profile of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide
Property Insights of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide
The XLogP value of 5.7274 indicates that 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
The CAS number of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide is 4708-91-2.
What is the molecular formula of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
The molecular formula of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide is C17H9F6N3S.
What is the molecular weight of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
The molecular weight of 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide is 401.04 g/mol.
Where can I buy 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
You can request a quote for 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.