2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-
TL;DR: 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- (CAS 57841-36-8) is a chemical compound with molecular formula C12H12F3NO2S and molecular weight 291.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazinane-2-thione
Also Known As: p-Anisyl-5-brompentylketon, 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-, 6-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazinane-2-thione, 3,4,5,6-Tetrahydro-6-(3-trifluorophenoxymethyl)-2H-1,3-oxazine-2-thione, 6-(3-trifluoromethyl-phenoxymethyl)-[1,3]oxazinane-2-thione
| Molecular Formula | C12H12F3NO2S |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 2.7476 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05408 |
| Heavy Atoms | 19 |
| Complexity | 464.53287 |
Chemical Identifiers
| CAS Number | 57841-36-8 |
|---|---|
| SMILES | C1CNC(=S)OC1COC2=CC=CC(=C2)C(F)(F)F |
Product Overview
2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- (CAS 57841-36-8), with molecular formula C12H12F3NO2S and molecular weight 291.05 g/mol. IUPAC: 6-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazinane-2-thione.
Chemical Property Profile of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-
Property Insights of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-
The XLogP value of 2.7476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-. With a topological polar surface area (TPSA) of 30.49 Ų, 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- 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 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-?
The CAS number of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- is 57841-36-8.
What is the molecular formula of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-?
The molecular formula of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- is C12H12F3NO2S.
What is the molecular weight of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-?
The molecular weight of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- is 291.05 g/mol.
Where can I buy 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-?
You can request a quote for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3-trifluoromethylphenoxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.