TL;DR: (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one (CAS 1287651-83-5) is a chemical compound with molecular formula C12H11NO3S2 and molecular weight 281.01804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one, BAS 00331516, (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-(3-ethoxy-4-hydroxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one, (Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxothiazolidin-4-one
| Molecular Formula | C12H11NO3S2 |
| Molecular Weight | 281.01804 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.01804 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)S2)O |
| InChIKey | BLHXTUCOFJOMCR-POHAHGRESA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is 1287651-83-5.
The molecular formula of (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is C12H11NO3S2.
The molecular weight of (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is 281.01804 g/mol.
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