TL;DR: 3-[2-(4-Methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one (CAS 156212-36-1) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
Also Known As: 3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one, 3-(2-Oxo-2-(p-tolyl)ethyl)thiazolidin-2-one, 3-[2-oxo-2-(p-tolyl)ethyl]thiazolidin-2-one
| Molecular Formula | C12H13NO2S |
| Molecular Weight | 235.0667 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.0667 Da |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)CN2CCSC2=O |
| InChIKey | WBRZXEUTQCVWSF-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(4-Methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-Methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one. Following Lipinski's Rule of Five, 3-[2-(4-Methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[2-(4-Methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one is 156212-36-1.
The molecular formula of 3-[2-(4-Methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one is C12H13NO2S.
The molecular weight of 3-[2-(4-Methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one is 235.0667 g/mol.
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