TL;DR: (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 1008883-43-9) is a chemical compound with molecular formula C25H23N3O4S3 and molecular weight 525.0851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C25H23N3O4S3 |
| Molecular Weight | 525.0851 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.0851 Da |
| Heavy Atoms | 35 |
| Complexity | 944.0 |
| SMILES | CCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5 |
| InChIKey | IDEBTTYCSLNENK-HMAPJEAMSA-N |
The XLogP value of 4.5 indicates that (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 1008883-43-9.
The molecular formula of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is C25H23N3O4S3.
The molecular weight of (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 525.0851 g/mol.
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