TL;DR: Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate (CAS 110826-57-8) is a chemical compound with molecular formula C10H14ClNO6S and molecular weight 311.02304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dioxopyrrolidin-1-yl)but-2-ynyl-dimethylsulfanium perchlorate
Also Known As: (4-(2,5-Dioxopyrrolidinyl)-2-butynyl)dimethylsulfonium perchlorate, Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate, Dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)sulfonium perchlorate, 4-(2,5-dioxopyrrolidin-1-yl)but-2-ynyl-dimethylsulfanium perchlorate, [4-(2,5-Dioxopyrrolidin-1-yl)but-2-yn-1-yl]di(methyl)sulfanium perchlorate
| Molecular Formula | C10H14ClNO6S |
| Molecular Weight | 311.02304 g/mol |
| XLogP | -4.7393 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.02304 Da |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
| SMILES | C[S+](C)CC#CCN1C(=O)CCC1=O.[O-]Cl(=O)(=O)=O |
| InChIKey | FCJVTSOLKFHFLA-UHFFFAOYSA-M |
The XLogP value of -4.7393 indicates that Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate. Following Lipinski's Rule of Five, Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate 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 Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate is 110826-57-8.
The molecular formula of Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate is C10H14ClNO6S.
The molecular weight of Sulfonium, dimethyl(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate is 311.02304 g/mol.
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