![Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate structure](/static/products/120/120996-10-3.webp)
Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate
TL;DR: Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate (CAS 120996-10-3) is a chemical compound with molecular formula C9H15NO2S2 and molecular weight 233.05443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
Also Known As: ethyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate, Ethyl [(pyrrolidine-1-carbothioyl)sulfanyl]acetate, Acetic acid, [(1-pyrrolidinylthioxomethyl)thio]-, ethyl ester, ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate
Technical Specifications
| Molecular Formula | C9H15NO2S2 |
| Molecular Weight | 233.05443 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.05443 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | CCOC(=O)CSC(=S)N1CCCC1 |
| InChIKey | QDZFNOANYPICOM-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate
Property Insights of Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate 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 Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate?
The CAS number of Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate is 120996-10-3.
What is the molecular formula of Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate?
The molecular formula of Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate is C9H15NO2S2.
What is the molecular weight of Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate?
The molecular weight of Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate is 233.05443 g/mol.
Where can I buy Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate?
You can request a quote for Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl [(pyrrolidin-1-ylcarbonothioyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.