TL;DR: 1-Ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane (CAS 111315-66-3) is a chemical compound with molecular formula C12H15NS2 and molecular weight 237.06459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-ethylsulfanylethyl)-2-thiophen-2-ylpyrrole
Also Known As: 1-ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane, 1-(2-ethylsulfanylethyl)-2-thiophen-2-ylpyrrole, 1-(2-ethylsulfanylethyl)-2-thiophen-2-yl-pyrrole, 1-(2-(ethylthio)ethyl)-2-(thiophen-2-yl)-1H-pyrrole
| Molecular Formula | C12H15NS2 |
| Molecular Weight | 237.06459 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 58.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.06459 Da |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
| SMILES | CCSCCN1C=CC=C1C2=CC=CS2 |
| InChIKey | OEURLYOJTBYVIM-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1-Ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.5 Ų, 1-Ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane 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 1-Ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane is 111315-66-3.
The molecular formula of 1-Ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane is C12H15NS2.
The molecular weight of 1-Ethylthio-2-(2-(2-thienyl)pyrrolyl)ethane is 237.06459 g/mol.
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