三氟甲磺酸甲酯
TL;DR: 三氟甲磺酸甲酯 (CAS 333-27-7) is a chemical compound with molecular formula C2H3F3O3S and molecular weight 163.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟甲磺酸甲酯
methyl trifluoromethanesulfonate
Also Known As: Methyl trifluoromethanesulfonate, Methyl triflate, methyltriflate, methyl trifiate, triflate ester
| Molecular Formula | C2H3F3O3S |
|---|---|
| Molecular Weight | 163.98 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.9755 |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
| Boiling Point | 201 to 98.9 °C at 760 mmHg |
| Density | 1.45 at 20.0 °C |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | 38.3 °C |
Chemical Identifiers
| CAS Number | 333-27-7 |
|---|---|
| SMILES | COS(=O)(=O)C(F)(F)F |
| InChIKey | OIRDBPQYVWXNSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟甲磺酸甲酯 (CAS 333-27-7), with molecular formula C2H3F3O3S and molecular weight 163.98 g/mol. IUPAC: methyl trifluoromethanesulfonate.
Chemical Property Profile of 三氟甲磺酸甲酯
Property Insights of 三氟甲磺酸甲酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟甲磺酸甲酯. With a topological polar surface area (TPSA) of 51.8 Ų, 三氟甲磺酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟甲磺酸甲酯 has 0 hydrogen bond donor(s) and 6 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 三氟甲磺酸甲酯?
The CAS number of 三氟甲磺酸甲酯 is 333-27-7.
What is the molecular formula of 三氟甲磺酸甲酯?
The molecular formula of 三氟甲磺酸甲酯 is C2H3F3O3S.
What is the molecular weight of 三氟甲磺酸甲酯?
The molecular weight of 三氟甲磺酸甲酯 is 163.98 g/mol.
Where can I buy 三氟甲磺酸甲酯?
You can request a quote for 三氟甲磺酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟甲磺酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 三氟甲磺酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.