TL;DR: (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one (CAS 301359-09-1) is a chemical compound with molecular formula C18H14ClNO4S3 and molecular weight 438.97736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((5-(4-chlorophenyl)furan-2-yl)methylene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxothiazolidin-4-one
| Molecular Formula | C18H14ClNO4S3 |
| Molecular Weight | 438.97736 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.97736 Da |
| Heavy Atoms | 27 |
| Complexity | 755.0 |
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/SC2=S |
| InChIKey | ONMFXYFMCMAAMF-SXGWCWSVSA-N |
The XLogP value of 3.9 indicates that (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one is 301359-09-1.
The molecular formula of (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one is C18H14ClNO4S3.
The molecular weight of (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one is 438.97736 g/mol.
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