TL;DR: Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester (CAS 137090-14-3) is a chemical compound with molecular formula C9H19N2OPS and molecular weight 234.09557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[methylsulfanyl(pyrrolidin-1-yl)phosphoryl]pyrrolidine
Also Known As: Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester, S-Methyl di(pyrrolidin-1-yl)phosphinothioate, 1-[methylsulfanyl(pyrrolidin-1-yl)phosphoryl]pyrrolidine, 1-(methylsulfanyl-pyrrolidin-1-yl-phosphoryl)pyrrolidine
| Molecular Formula | C9H19N2OPS |
| Molecular Weight | 234.09557 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.09557 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | CSP(=O)(N1CCCC1)N2CCCC2 |
| InChIKey | OCYLLCYAPOYHMC-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester. With a topological polar surface area (TPSA) of 48.9 Ų, Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester 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 Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester is 137090-14-3.
The molecular formula of Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester is C9H19N2OPS.
The molecular weight of Phosphinothioic acid, di-1-pyrrolidinyl-, S-methyl ester is 234.09557 g/mol.
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