6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide
TL;DR: 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide (CAS 339013-39-7) is a chemical compound with molecular formula C18H14F3N3S and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine
Also Known As: Bionet1_001746, 7K-392S, 6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide, 6-methyl-3-(4-methylphenyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine, 6-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine
| Molecular Formula | C18H14F3N3S |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 5.32544 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.08606 |
| Heavy Atoms | 25 |
| Complexity | 892.8133 |
Chemical Identifiers
| CAS Number | 339013-39-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(N=N2)C)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide (CAS 339013-39-7), with molecular formula C18H14F3N3S and molecular weight 361.09 g/mol. IUPAC: 6-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazine.
Chemical Property Profile of 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide
Property Insights of 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide
The XLogP value of 5.32544 indicates that 6-Methyl-3-(4-methylphenyl)-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, 6-Methyl-3-(4-methylphenyl)-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, 6-Methyl-3-(4-methylphenyl)-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 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
The CAS number of 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide is 339013-39-7.
What is the molecular formula of 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
The molecular formula of 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide is C18H14F3N3S.
What is the molecular weight of 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
The molecular weight of 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide is 361.09 g/mol.
Where can I buy 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
You can request a quote for 6-Methyl-3-(4-methylphenyl)-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 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-(4-methylphenyl)-1,2,4-triazin-5-yl 3-(trifluoromethyl)phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.