TL;DR: 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide (CAS 27058-43-1) is a chemical compound with molecular formula C10H10INS and molecular weight 302.95786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-thiophen-2-ylpyridin-1-ium iodide
Also Known As: 1-Methyl-4-(2-thienyl)pyridinium iodide, Pyridinium, 1-methyl-4-(2-thienyl)-, iodide, 1-methyl-4-(thiophen-2-yl)pyridinium iodide, 1-methyl-4-thiophen-2-ylpyridin-1-ium iodide, 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide
| Molecular Formula | C10H10INS |
| Molecular Weight | 302.95786 g/mol |
| XLogP | -0.76 |
| Topological Polar Surface Area (TPSA) | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.95786 Da |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=CS2.[I-] |
| InChIKey | XQQWVNSDJQEAKL-UHFFFAOYSA-M |
The XLogP value of -0.76 indicates that 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide is 27058-43-1.
The molecular formula of 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide is C10H10INS.
The molecular weight of 2-(1-Methylpyridin-4(1H)-ylidene)-2H-thiophen-1-ium iodide is 302.95786 g/mol.
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