TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]- (CAS 147591-62-6) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-aminophenyl)sulfanylethyl]isoindole-1,3-dione
Also Known As: 2-[2-(4-aminophenyl)sulfanylethyl]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]-, 2-(2-((4-Aminophenyl)thio)ethyl)isoindoline-1,3-dione, 2-[2-[(4-aminophenyl)thio]ethyl]isoindole-1,3-dione, 2-[2-(4-aminophenylthio)ethyl]benzo[c]azolidine-1,3-dione
| Molecular Formula | C16H14N2O2S |
| Molecular Weight | 298.0776 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0776 Da |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=CC=C(C=C3)N |
| InChIKey | SYHPYRURUTWAPB-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]- is 147591-62-6.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]- is C16H14N2O2S.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-aminophenyl)thio]ethyl]- is 298.0776 g/mol.
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