TL;DR: Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide (CAS 210167-37-6) is a chemical compound with molecular formula C6H16NO2S2+ and molecular weight 198.06224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl(2-methylsulfonylsulfanylethyl)azanium
Also Known As: MTSET (chloride), MTSET+, trimethyl(2-methylsulfonylsulfanylethyl)azanium, Methanethiosulfonyltrimethylammonium, Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H16NO2S2+ |
| Molecular Weight | 198.06224 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.06224 Da |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
| SMILES | C[N+](C)(C)CCSS(=O)(=O)C |
| InChIKey | VRGHSYHERKHVHD-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide. Following Lipinski's Rule of Five, Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide is 210167-37-6.
The molecular formula of Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide is C6H16NO2S2+.
The molecular weight of Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide is 198.06224 g/mol.
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