Trimethylsulfonium methyl sulfate
TL;DR: Trimethylsulfonium methyl sulfate (CAS 1059150-27-4) is a chemical compound with molecular formula C4H12O4S2 and molecular weight 188.0177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl sulfate;trimethylsulfanium
Also Known As: Trimethylsulfonium methyl sulfate, Methyl sulfate, trimethylsulfanium, trimethylsulfonium methylsulfate, methyl sulfate;trimethylsulfanium
Technical Specifications
| Molecular Formula | C4H12O4S2 |
| Molecular Weight | 188.0177 g/mol |
| XLogP | -0.4129 |
| Topological Polar Surface Area (TPSA) | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.0177 Da |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
| SMILES | COS(=O)(=O)[O-].C[S+](C)C |
| InChIKey | ANXKZXRDXAZQJT-UHFFFAOYSA-M |
Chemical Property Profile of Trimethylsulfonium methyl sulfate
Property Insights of Trimethylsulfonium methyl sulfate
The XLogP value of -0.4129 indicates that Trimethylsulfonium methyl sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylsulfonium methyl sulfate. Following Lipinski's Rule of Five, Trimethylsulfonium methyl 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 Trimethylsulfonium methyl sulfate?
The CAS number of Trimethylsulfonium methyl sulfate is 1059150-27-4.
What is the molecular formula of Trimethylsulfonium methyl sulfate?
The molecular formula of Trimethylsulfonium methyl sulfate is C4H12O4S2.
What is the molecular weight of Trimethylsulfonium methyl sulfate?
The molecular weight of Trimethylsulfonium methyl sulfate is 188.0177 g/mol.
Where can I buy Trimethylsulfonium methyl sulfate?
You can request a quote for Trimethylsulfonium methyl sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trimethylsulfonium methyl sulfate?
Yes, CoreyChem provides custom synthesis services for Trimethylsulfonium methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.