TL;DR: p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)- (CAS 34419-09-5) is a chemical compound with molecular formula C12H18N2O2S2 and molecular weight 286.08096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[2-(diethylamino)ethyl]-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Also Known As: p-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-(2-(DIETHYLAMINO)ETHYL)-, 5,6-Dihydro-N-(2-(diethylamino)ethyl)-p-dithiin-2,3-dicarboximide, 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-(diethylamino)ethyl)-, 6-(2-diethylaminoethyl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione, 6-[2-(Diethylamino)ethyl]-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione
| Molecular Formula | C12H18N2O2S2 |
| Molecular Weight | 286.08096 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.08096 Da |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
| SMILES | CCN(CC)CCN1C(=O)C2=C(C1=O)SCCS2 |
| InChIKey | WBWKJUVLWCTQAW-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)-. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)-. Following Lipinski's Rule of Five, p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)- is 34419-09-5.
The molecular formula of p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)- is C12H18N2O2S2.
The molecular weight of p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)- is 286.08096 g/mol.
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