![Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate structure](/static/products/1008/1008670-69-6.webp)
Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
TL;DR: Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate (CAS 1008670-69-6) is a chemical compound with molecular formula C10H17N3O3S and molecular weight 259.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
Also Known As: methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate, methyl 2-[1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate, methyl 2-(1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl)acetate, methyl 2-{1-[(ethylamino)thioxomethyl]-3-oxopiperazin-2-yl}acetate, (1-Ethylthiocarbamoyl-3-oxo-piperazin-2-yl)-acetic acid methyl ester
Technical Specifications
| Molecular Formula | C10H17N3O3S |
| Molecular Weight | 259.09906 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.09906 Da |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
| SMILES | CCNC(=S)N1CCNC(=O)C1CC(=O)OC |
| InChIKey | QSSNCMTXNDYJBG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
Property Insights of Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
The XLogP value of -0.5 indicates that Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate. Following Lipinski's Rule of Five, Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate has 2 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 Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate?
The CAS number of Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate is 1008670-69-6.
What is the molecular formula of Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate?
The molecular formula of Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate is C10H17N3O3S.
What is the molecular weight of Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate?
The molecular weight of Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate is 259.09906 g/mol.
Where can I buy Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate?
You can request a quote for Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate?
Yes, CoreyChem provides custom synthesis services for Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.