1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid
TL;DR: 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid (CAS 62848-41-3) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
Also Known As: 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid, 5-25-08-00193 (Beilstein Handbook Reference), 4-IMIDAZOLIDINEACETIC ACID, 1-(2-METHYLPHENYL)-5-OXO-2-THIOXO-, 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid, [1-(2-Methylphenyl)-5-oxo-2-sulfanyl-4,5-dihydro-1H-imidazol-4-yl]acetic acid
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.05942 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 529.8087 |
Chemical Identifiers
| CAS Number | 62848-41-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C(NC2=S)CC(=O)O |
Product Overview
1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid (CAS 62848-41-3), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 2-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid.
Chemical Property Profile of 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid
Property Insights of 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid
The XLogP value of 1.05942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid. Following Lipinski's Rule of Five, 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid has 2 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 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid?
The CAS number of 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid is 62848-41-3.
What is the molecular formula of 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid?
The molecular formula of 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid is C12H12N2O3S.
What is the molecular weight of 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid?
The molecular weight of 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid is 264.06 g/mol.
Where can I buy 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid?
You can request a quote for 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylphenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.