5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione
TL;DR: 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione (CAS 3414-46-8) is a chemical compound with molecular formula C11H10F3NO2S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidine-2-thione
Also Known As: U 12,229, 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione, U 12229, 2-Oxazolidinethione, 5-((2-(trifluoromethyl)phenoxy)methyl)-, 5-(2-trifluoromethyl-phenoxymethyl)-oxazolidine-2-thione
| Molecular Formula | C11H10F3NO2S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.3575 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.03842 |
| Heavy Atoms | 18 |
| Complexity | 450.1596 |
Chemical Identifiers
| CAS Number | 3414-46-8 |
|---|---|
| SMILES | C1C(OC(=S)N1)COC2=CC=CC=C2C(F)(F)F |
Product Overview
5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione (CAS 3414-46-8), with molecular formula C11H10F3NO2S and molecular weight 277.04 g/mol. IUPAC: 5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidine-2-thione.
Chemical Property Profile of 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione
Property Insights of 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione
The XLogP value of 2.3575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione. With a topological polar surface area (TPSA) of 30.49 Ų, 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione 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 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione?
The CAS number of 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione is 3414-46-8.
What is the molecular formula of 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione?
The molecular formula of 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione is C11H10F3NO2S.
What is the molecular weight of 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione?
The molecular weight of 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione is 277.04 g/mol.
Where can I buy 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione?
You can request a quote for 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((Trifluoro-o-tolyl)oxy)methyl)-2-oxazolidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.