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 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H12N4OS |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.1197 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07318 |
| Heavy Atoms | 15 |
| Complexity | 384.57153 |
Chemical Identifiers
| CAS Number | 1004643-56-4 |
|---|---|
| SMILES | CCN1C=C(C=N1)CN2C(=O)CNC2=S |
Product Overview
3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one (CAS 1004643-56-4), with molecular formula C9H12N4OS and molecular weight 224.07 g/mol. IUPAC: 3-[(1-ethylpyrazol-4-yl)methyl]-2-sulfanylideneimidazolidin-4-one.
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 0.1197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one. With a topological polar surface area (TPSA) of 50.16 Ų, 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 224.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Ethyl-1H-pyrazol-4-ylmethyl)-2-thioxo-imidazolidin-4-one?
Yes, KEHONG BIO 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.