Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester
TL;DR: Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester (CAS 141931-16-0) is a chemical compound with molecular formula C8H18NO2PS and molecular weight 223.07959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[methylsulfanyl(propan-2-yloxy)phosphoryl]pyrrolidine
Also Known As: 1-[methylsulfanyl(propan-2-yloxy)phosphoryl]pyrrolidine, Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester, 1-(methylsulfanyl-propan-2-yloxy-phosphoryl)pyrrolidine, S-methyl O-propan-2-yl pyrrolidin-1-ylphosphonothioate, S-Methyl O-(propan-2-yl) pyrrolidin-1-ylphosphonothioate
Technical Specifications
| Molecular Formula | C8H18NO2PS |
| Molecular Weight | 223.07959 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.07959 Da |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
| SMILES | CC(C)OP(=O)(N1CCCC1)SC |
| InChIKey | CGMZQLUVHWODJM-UHFFFAOYSA-N |
Chemical Property Profile of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester
Property Insights of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester. With a topological polar surface area (TPSA) of 54.8 Ų, Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester?
The CAS number of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester is 141931-16-0.
What is the molecular formula of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester?
The molecular formula of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester is C8H18NO2PS.
What is the molecular weight of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester?
The molecular weight of Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester is 223.07959 g/mol.
Where can I buy Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester?
You can request a quote for Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester?
Yes, CoreyChem provides custom synthesis services for Phosphonothioic acid, 1-pyrrolidinyl-, S-methyl O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.