TL;DR: (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one (CAS 841207-66-7) is a chemical compound with molecular formula C19H14F3NO3S2 and molecular weight 425.0367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Also Known As: (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one, (5Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one, (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
| Molecular Formula | C19H14F3NO3S2 |
| Molecular Weight | 425.0367 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0367 Da |
| Heavy Atoms | 28 |
| Complexity | 640.0 |
| SMILES | COC1=CC=CC(=C1OC)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | HRWHCXTYVDWLDR-DHDCSXOGSA-N |
The XLogP value of 5.4 indicates that (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one is 841207-66-7.
The molecular formula of (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one is C19H14F3NO3S2.
The molecular weight of (Z)-5-(2,3-dimethoxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one is 425.0367 g/mol.
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