TL;DR: Sodium (2-sulfonatoethyl)methanethiosulfonate (CAS 155450-07-0) is a chemical compound with molecular formula C3H7NaO5S3 and molecular weight 241.93533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 2-methylsulfonylsulfanylethanesulfonate
Also Known As: MTSES, Sodium (2-sulfonatoethyl)methanethiosulfonate, MTSES (sodium), sodium;2-methylsulfonylsulfanylethanesulfonate, Sodium 2-methylsulfonylsulfanylethanesulfonate
| Molecular Formula | C3H7NaO5S3 |
| Molecular Weight | 241.93533 g/mol |
| XLogP | -3.7716 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.93533 Da |
| Heavy Atoms | 12 |
| Complexity | 292.0 |
| SMILES | CS(=O)(=O)SCCS(=O)(=O)[O-].[Na+] |
| InChIKey | NZSYKLNULKPWIX-UHFFFAOYSA-M |
The XLogP value of -3.7716 indicates that Sodium (2-sulfonatoethyl)methanethiosulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium (2-sulfonatoethyl)methanethiosulfonate. Following Lipinski's Rule of Five, Sodium (2-sulfonatoethyl)methanethiosulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sodium (2-sulfonatoethyl)methanethiosulfonate is 155450-07-0.
The molecular formula of Sodium (2-sulfonatoethyl)methanethiosulfonate is C3H7NaO5S3.
The molecular weight of Sodium (2-sulfonatoethyl)methanethiosulfonate is 241.93533 g/mol.
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