TL;DR: 3-(3-Chlorophenyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one (CAS 157325-80-9) is a chemical compound with molecular formula C15H9ClN2OS2 and molecular weight 331.9845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(3-chlorophenyl)-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(3-chlorophenyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(3-chlorophenyl)-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(3-chlorophenyl)-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(3-chlorophenyl)-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-4-one, (5Z)-3-(3-CHLOROPHENYL)-5-[(PYRIDIN-2-YL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C15H9ClN2OS2 |
| Molecular Weight | 331.9845 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.9845 Da |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
| SMILES | C1=CC=NC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl |
| InChIKey | WMKXWYSTGKYXQZ-LCYFTJDESA-N |
The XLogP value of 4.1 indicates that 3-(3-Chlorophenyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chlorophenyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-5-(2-pyridylmethylene)-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-(3-Chlorophenyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one is 157325-80-9.
The molecular formula of 3-(3-Chlorophenyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one is C15H9ClN2OS2.
The molecular weight of 3-(3-Chlorophenyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one is 331.9845 g/mol.
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