TL;DR: Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)- (CAS 103041-95-8) is a chemical compound with molecular formula C16H24N2O2S and molecular weight 308.15585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[3-(dimethylamino)propoxy]phenyl]-morpholin-4-ylmethanethione
Also Known As: 4-(o-(3-(Dimethylamino)propoxy)thiobenzoyl)morpholine, Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)-, [2-[3-(dimethylamino)propoxy]phenyl]-morpholin-4-ylmethanethione, {2-[3-(Dimethylamino)propoxy]phenyl}(morpholin-4-yl)methanethione
| Molecular Formula | C16H24N2O2S |
| Molecular Weight | 308.15585 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.15585 Da |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
| SMILES | CN(C)CCCOC1=CC=CC=C1C(=S)N2CCOCC2 |
| InChIKey | PWHJEZHEVRUFNV-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)-. With a topological polar surface area (TPSA) of 57.0 Ų, Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)- has 0 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 Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)- is 103041-95-8.
The molecular formula of Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)- is C16H24N2O2S.
The molecular weight of Morpholine, 4-(o-(3-(dimethylamino)propoxy)thiobenzoyl)- is 308.15585 g/mol.
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