Methyl fluorosulfate
TL;DR: Methyl fluorosulfate (CAS 421-20-5) is a chemical compound with molecular formula CH3FO3S and molecular weight 113.97869 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
fluorosulfonyloxymethane
Also Known As: METHYL FLUOROSULFONATE, Methyl fluorosulfate, Magic methyl, Methyl fluorosulphonate, methylfluorosulfonate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CH3FO3S |
| Molecular Weight | 113.97869 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.97869 Da |
| Heavy Atoms | 6 |
| Complexity | 107.0 |
| Boiling Point | 92 °C @760 [mm Hg] |
| Density | 1.427 @ 16°C |
| SMILES | COS(=O)(=O)F |
| InChIKey | MBXNQZHITVCSLJ-UHFFFAOYSA-N |
Product Description
Applications: Methyl fluorosulfate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Methyl fluorosulfate (CAS 421-20-5) has the molecular formula CH3FO3S and a molecular weight of 113.98 g/mol. Reported properties include a density of 1.427 @ 16°C g/cm³. Synonyms include METHYL FLUOROSULFONATE and Methyl fluorosulfate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methyl fluorosulfate
Property Insights of Methyl fluorosulfate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl fluorosulfate. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl fluorosulfate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl fluorosulfate 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
What is the CAS number of Methyl fluorosulfate?
The CAS number of Methyl fluorosulfate is 421-20-5.
What is the molecular formula of Methyl fluorosulfate?
The molecular formula of Methyl fluorosulfate is CH3FO3S.
What is the molecular weight of Methyl fluorosulfate?
The molecular weight of Methyl fluorosulfate is 113.97869 g/mol.
What are the applications of Methyl fluorosulfate?
Methyl fluorosulfate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Methyl fluorosulfate?
You can request a quote for Methyl fluorosulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl fluorosulfate?
Yes, CoreyChem provides custom synthesis services for Methyl fluorosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.