3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one
TL;DR: 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one (CAS 1004643-56-4) is a chemical compound with molecular formula C9H12N4OS and molecular weight 224.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1-ethylpyrazol-4-yl)methyl]-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-(1-ETHYL-1H-PYRAZOL-4-YLMETHYL)-2-THIOXO-IMIDAZOLIDIN-4-ONE, 3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-sulfanylideneimidazolidin-4-one, 3-[(1-ethylpyrazol-4-yl)methyl]-2-sulfanylideneimidazolidin-4-one, 3-((1-Ethyl-1h-pyrazol-4-yl)methyl)-2-thioxoimidazolidin-4-one, 3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-thioxoimidazolidin-4-one
Technical Specifications
| Molecular Formula | C9H12N4OS |
| Molecular Weight | 224.07318 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07318 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | CCN1C=C(C=N1)CN2C(=O)CNC2=S |
| InChIKey | IJFBPQLFBMRVHJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one
Property Insights of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one
The XLogP value of -0.2 indicates that 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one. Following Lipinski's Rule of Five, 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one?
The CAS number of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one is 1004643-56-4.
What is the molecular formula of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one?
The molecular formula of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one is C9H12N4OS.
What is the molecular weight of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one?
The molecular weight of 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one is 224.07318 g/mol.
Where can I buy 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one?
You can request a quote for 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.