TL;DR: Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide (CAS 130921-59-4) is a chemical compound with molecular formula C19H24IN3OS2 and molecular weight 501.04056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethylazanium iodide
Also Known As: Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide, 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethylazanium iodide, 2-[(5,6-Dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N,N-trimethylethan-1-aminium iodide
| Molecular Formula | C19H24IN3OS2 |
| Molecular Weight | 501.04056 g/mol |
| XLogP | 0.86634 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.04056 Da |
| Heavy Atoms | 26 |
| Complexity | 525.0 |
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC[N+](C)(C)C)C3=CC=CC=C3)C.[I-] |
| InChIKey | LVAOUYCAGXAGQA-UHFFFAOYSA-M |
The XLogP value of 0.86634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide. Following Lipinski's Rule of Five, Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide is 130921-59-4.
The molecular formula of Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide is C19H24IN3OS2.
The molecular weight of Ethanaminium, 2-((3,4-dihydro-5,6-dimethyl-4-oxo-3-phenylthieno(2,3-d)pyrimidin-2-yl)thio)-N,N,N-trimethyl-, iodide is 501.04056 g/mol.
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