TL;DR: 5-[(2-Hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one (CAS 101727-33-7) is a chemical compound with molecular formula C16H11NO2S2 and molecular weight 313.02313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00262568, 5-[(2-hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one, 5-(2-Hydroxy-benzylidene)-3-phenyl-2-thioxo-thiazolidin-4-one, (5E)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one, (E)-5-(2-hydroxybenzylidene)-3-phenyl-2-thioxothiazolidin-4-one
| Molecular Formula | C16H11NO2S2 |
| Molecular Weight | 313.02313 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.02313 Da |
| Heavy Atoms | 21 |
| Complexity | 457.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CC=C3O)/SC2=S |
| InChIKey | SSWOEIJGIJYHNZ-GXDHUFHOSA-N |
The XLogP value of 4.2 indicates that 5-[(2-Hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-Hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-[(2-Hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one has 1 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-[(2-Hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one is 101727-33-7.
The molecular formula of 5-[(2-Hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one is C16H11NO2S2.
The molecular weight of 5-[(2-Hydroxyphenyl)methylene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one is 313.02313 g/mol.
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