硫酸二甲酯
TL;DR: 硫酸二甲酯 (CAS 77-78-1) is a chemical compound with molecular formula C2H6O4S and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸二甲酯
dimethyl sulfate
Also Known As: DIMETHYL SULFATE, dimethylsulfate, Dimethyl sulphate, Dimethylsulfat, Methyl sulfate
| Molecular Formula | C2H6O4S |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.99868 |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
| Melting Point | -31.8 °C |
| Boiling Point | About 187.8 °C (with decomposition) |
| Density | 1.3283 at 20.0 °C |
| Solubility | 3 % at 64 °F (NIOSH, 2024) |
| Flash Point | 83.3 °C |
| Vapor Pressure | 0.1 to 0.5 mmHg at 20.0 °C |
| Refractive Index | 1.3874 at 20 °C |
Chemical Identifiers
| CAS Number | 77-78-1 |
|---|---|
| SMILES | COS(=O)(=O)OC |
| InChIKey | VAYGXNSJCAHWJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫酸二甲酯 (CAS 77-78-1), with molecular formula C2H6O4S and molecular weight 126.00 g/mol. IUPAC: dimethyl sulfate.
Chemical Property Profile of 硫酸二甲酯
Property Insights of 硫酸二甲酯
The XLogP value of -0.3 indicates that 硫酸二甲酯 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 硫酸二甲酯. Following Lipinski's Rule of Five, 硫酸二甲酯 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
Frequently Asked Questions
What is the CAS number of 硫酸二甲酯?
The CAS number of 硫酸二甲酯 is 77-78-1.
What is the molecular formula of 硫酸二甲酯?
The molecular formula of 硫酸二甲酯 is C2H6O4S.
What is the molecular weight of 硫酸二甲酯?
The molecular weight of 硫酸二甲酯 is 126.00 g/mol.
Where can I buy 硫酸二甲酯?
You can request a quote for 硫酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 硫酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.