TL;DR: Gonyauline (CAS 125559-51-5) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-(1R,2R)-2-dimethylsulfoniocyclopropane-1-carboxylate
Also Known As: Gonyauline, (1R,2R)-2-dimethylsulfoniocyclopropane-1-carboxylate, S-Methyl-cis-2-(methylthio)cyclopropanecarboxylic acid, (1R,2R)-2-(Dimethylsulfaniumyl)cyclopropane-1-carboxylate, Sulonium,(2-carboxycyclopropyl)dimethyl-,hydroxide,inner salt,(1S-cis)
| Molecular Formula | C6H10O2S |
| Molecular Weight | 146.04015 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.04015 Da |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
| SMILES | C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-] |
| InChIKey | BSFOBFUZLFYTEX-CRCLSJGQSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gonyauline. With a topological polar surface area (TPSA) of 41.1 Ų, Gonyauline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gonyauline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Gonyauline is 125559-51-5.
The molecular formula of Gonyauline is C6H10O2S.
The molecular weight of Gonyauline is 146.04015 g/mol.
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