TL;DR: (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid (CAS 15289-17-5) is a chemical compound with molecular formula C11H10O2S and molecular weight 206.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid
Also Known As: 2-sulfanyl-5-phenyl-2,4-pentadienoic acid, 5-phenyl-2-sulfanylpenta-2,4-dienoic acid, (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid, 2,4-Pentadienoic acid,2-mercapto-5-phenyl-,(2Z,4E)
| Molecular Formula | C11H10O2S |
| Molecular Weight | 206.04015 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.04015 Da |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C=C(/C(=O)O)\S |
| InChIKey | JOPSFFUFGFILRK-DODKFZKMSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid. With a topological polar surface area (TPSA) of 38.3 Ų, (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid is 15289-17-5.
The molecular formula of (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid is C11H10O2S.
The molecular weight of (2Z,4E)-5-phenyl-2-sulfanylpenta-2,4-dienoic acid is 206.04015 g/mol.
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