TL;DR: 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-thiazolidin-4-one (CAS 102028-36-4) is a chemical compound with molecular formula C18H15NO2S2 and molecular weight 341.0544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-benzylidene-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00279330, 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-thiazolidin-4-one, (Z)-5-benzylidene-3-(4-ethoxyphenyl)-2-thioxothiazolidin-4-one, (5Z)-5-benzylidene-3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one, 3-(4-ethoxyphenyl)-5-(phenylmethylene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C18H15NO2S2 |
| Molecular Weight | 341.0544 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0544 Da |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S |
| InChIKey | RNSNPXNFCHTVML-VBKFSLOCSA-N |
The XLogP value of 4.9 indicates that 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-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 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-thiazolidin-4-one is 102028-36-4.
The molecular formula of 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-thiazolidin-4-one is C18H15NO2S2.
The molecular weight of 5-Benzylidene-3-(4-ethoxy-phenyl)-2-thioxo-thiazolidin-4-one is 341.0544 g/mol.
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