TL;DR: 4-Ethyl-5-methylthiophene-2-carboxylic acid (CAS 154828-65-6) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-5-methylthiophene-2-carboxylic acid
Also Known As: 4-ethyl-5-methylthiophene-2-carboxylic acid, 4-ethyl-5-methyl-thiophene-2-carboxylic Acid, 4-ethyl-5-methylthiophene-2-carboxylicacid, 3-ethyl-2-methyl-5-thiophenecarboxylic acid, 856-320-3
| Molecular Formula | C8H10O2S |
| Molecular Weight | 170.04015 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04015 Da |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| SMILES | CCC1=C(SC(=C1)C(=O)O)C |
| InChIKey | GSSWLCSRUGMXBK-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-5-methylthiophene-2-carboxylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl-5-methylthiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Ethyl-5-methylthiophene-2-carboxylic acid has 1 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 4-Ethyl-5-methylthiophene-2-carboxylic acid is 154828-65-6.
The molecular formula of 4-Ethyl-5-methylthiophene-2-carboxylic acid is C8H10O2S.
The molecular weight of 4-Ethyl-5-methylthiophene-2-carboxylic acid is 170.04015 g/mol.
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