Dimethyl Sulfate
TL;DR: Dimethyl Sulfate (CAS 77-78-1) is a chemical compound with molecular formula C2H6O4S and molecular weight 125.99868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl sulfate
Also Known As: DIMETHYL SULFATE, dimethylsulfate, Dimethyl sulphate, Dimethylsulfat, Methyl sulfate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H6O4S |
| Molecular Weight | 125.99868 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.99868 Da |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
| Melting Point | -25.15 °F (EPA, 1998) |
| Boiling Point | About 370 °F (with decomposition) (EPA, 1998) |
| Density | 1.3283 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 182 °F (EPA, 1998) |
| Vapor Pressure | 0.1 to 0.5 mmHg at 68 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.3874 at 20 °C/D |
| Solubility | 3 % at 64 °F (NIOSH, 2024) |
| SMILES | COS(=O)(=O)OC |
| InChIKey | VAYGXNSJCAHWJZ-UHFFFAOYSA-N |
Product Description
Applications: Dimethyl Sulfate 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).
Dimethyl Sulfate (CAS 77-78-1) is a heterocyclic building block with the molecular formula C2H6O4S and a molecular weight of 126 g/mol. Key physical properties include a density of 1.3283 at 68 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: 3 % at 64 °F (NIOSH, 2024). Synonyms include DIMETHYL SULFATE and dimethylsulfate.
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 Dimethyl Sulfate
Property Insights of Dimethyl Sulfate
The XLogP value of -0.3 indicates that Dimethyl Sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl Sulfate. Following Lipinski's Rule of Five, Dimethyl Sulfate 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 Dimethyl Sulfate?
The CAS number of Dimethyl Sulfate is 77-78-1.
What is the molecular formula of Dimethyl Sulfate?
The molecular formula of Dimethyl Sulfate is C2H6O4S.
What is the molecular weight of Dimethyl Sulfate?
The molecular weight of Dimethyl Sulfate is 125.99868 g/mol.
What are the applications of Dimethyl Sulfate?
Dimethyl Sulfate 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 Dimethyl Sulfate?
You can request a quote for Dimethyl Sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl Sulfate?
Yes, CoreyChem provides custom synthesis services for Dimethyl Sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.