Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate
TL;DR: Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate (CAS 13551-66-1) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(1,3-dimethyl-4-nitropyrazol-5-yl)sulfanylacetate
Also Known As: ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate, Ethyl [(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetate
Technical Specifications
| Molecular Formula | C9H13N3O4S |
| Molecular Weight | 259.06268 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.06268 Da |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
| SMILES | CCOC(=O)CSC1=C(C(=NN1C)C)[N+](=O)[O-] |
| InChIKey | BBDRYVUSGWYVBB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate
Property Insights of Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate has 0 hydrogen bond donor(s) and 6 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 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate?
The CAS number of Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate is 13551-66-1.
What is the molecular formula of Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate?
The molecular formula of Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate is C9H13N3O4S.
What is the molecular weight of Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate?
The molecular weight of Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate is 259.06268 g/mol.
Where can I buy Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate?
You can request a quote for Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.