TL;DR: 3-[4-(Diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one (CAS 166442-70-2) is a chemical compound with molecular formula C13H16N2OS2 and molecular weight 280.0704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 01074101, 3-[4-(diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one, 3-[4-(Diethylamino)phenyl]-2-thioxo-4-thiazolidinone, 3-(4-Diethylamino-phenyl)-2-thioxo-thiazolidin-4-one, 3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C13H16N2OS2 |
| Molecular Weight | 280.0704 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0704 Da |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)N2C(=O)CSC2=S |
| InChIKey | UTPMMNARSXJYOB-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 3-[4-(Diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-[4-(Diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[4-(Diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one is 166442-70-2.
The molecular formula of 3-[4-(Diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one is C13H16N2OS2.
The molecular weight of 3-[4-(Diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one is 280.0704 g/mol.
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