TL;DR: 5-Benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 13036-93-6) is a chemical compound with molecular formula C16H10ClNOS2 and molecular weight 330.98923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-Benzylidene-3-(p-chlorophenyl)rhodanine, Rhodanine, 5-benzylidene-3-(p-chlorophenyl)-, 5-benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C16H10ClNOS2 |
| Molecular Weight | 330.98923 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.98923 Da |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
| SMILES | C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)Cl |
| InChIKey | HQVQKKXNCMMATE-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 5-Benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-Benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is 13036-93-6.
The molecular formula of 5-Benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is C16H10ClNOS2.
The molecular weight of 5-Benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is 330.98923 g/mol.
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