as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
TL;DR: as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 69466-62-2) is a chemical compound with molecular formula C11H8F3N3S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazine
Also Known As: as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 5-26-03-00304 (Beilstein Handbook Reference), 1,2,4-Triazine, 3-(methylthio)-5-(3-(trifluoromethyl)phenyl)-, 3-(Methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-as-triazine, 1,2,4-Triazine, 3-(methylthio)-5-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C11H8F3N3S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 3.2793 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0391 |
| Heavy Atoms | 18 |
| Complexity | 557.22485 |
Chemical Identifiers
| CAS Number | 69466-62-2 |
|---|---|
| SMILES | CSC1=NC(=CN=N1)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 69466-62-2), with molecular formula C11H8F3N3S and molecular weight 271.04 g/mol. IUPAC: 3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazine.
Chemical Property Profile of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Property Insights of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
The XLogP value of 3.2793 indicates that as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- has 0 hydrogen bond donor(s) and 4 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 as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The CAS number of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 69466-62-2.
What is the molecular formula of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The molecular formula of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is C11H8F3N3S.
What is the molecular weight of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
The molecular weight of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 271.04 g/mol.
Where can I buy as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
You can request a quote for as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.