TL;DR: Di((2H3)methyl) sulphate (CAS 15199-43-6) is a chemical compound with molecular formula C2H6O4S and molecular weight 132.03635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(trideuteriomethyl) sulfate
Also Known As: Dimethyl sulfate-d6, Di((2H3)methyl) sulphate, Dimethylsulfate-d6, Dimethyl Sulfate D6, Dimethyl sulfate-d?
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C2H6O4S |
| Molecular Weight | 132.03635 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 | 132.03635 Da |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
| SMILES | [2H]C([2H])([2H])OS(=O)(=O)OC([2H])([2H])[2H] |
| InChIKey | VAYGXNSJCAHWJZ-WFGJKAKNSA-N |
The XLogP value of -0.3 indicates that Di((2H3)methyl) sulphate 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 Di((2H3)methyl) sulphate. Following Lipinski's Rule of Five, Di((2H3)methyl) sulphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Di((2H3)methyl) sulphate is 15199-43-6.
The molecular formula of Di((2H3)methyl) sulphate is C2H6O4S.
The molecular weight of Di((2H3)methyl) sulphate is 132.03635 g/mol.
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