![Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate structure](/static/products/1217/1217721-55-5.webp)
Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate
TL;DR: Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate (CAS 1217721-55-5) is a chemical compound with molecular formula C11H11F3O3S and molecular weight 280.0381 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylbenzoate
Also Known As: Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate, methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfanyl]benzoate, methyl 2-(3,3,3-trifluoro-2-hydroxypropyl)sulfanylbenzoate, METHYL 2-[(3,3,3-TRIFLUORO-2-HYDROXYPROPYL)SULFANYL]BENZENECARBOXYLATE, Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)thio]benzoate
Technical Specifications
| Molecular Formula | C11H11F3O3S |
| Molecular Weight | 280.0381 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.0381 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | COC(=O)C1=CC=CC=C1SCC(C(F)(F)F)O |
| InChIKey | CYSVSYZMNULSCR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate
Property Insights of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate?
The CAS number of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate is 1217721-55-5.
What is the molecular formula of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate?
The molecular formula of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate is C11H11F3O3S.
What is the molecular weight of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate?
The molecular weight of Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate is 280.0381 g/mol.
Where can I buy Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate?
You can request a quote for Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulphanyl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.