TL;DR: (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine (CAS 1049978-44-0) is a chemical compound with molecular formula C11H11Cl2N3OS and molecular weight 303.0 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
Also Known As: (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine, 1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine, (1S)-1-(5-{[(2,6-Dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethan-1-amine, (1S)-1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine, (I+/-S)-5-[[(2,6-Dichlorophenyl)methyl]thio]-I+/--methyl-1,3,4-oxadiazole-2-methanamine
| Molecular Formula | C11H11Cl2N3OS |
| Molecular Weight | 303.0 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0 Da |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
| SMILES | C[C@@H](C1=NN=C(O1)SCC2=C(C=CC=C2Cl)Cl)N |
| InChIKey | HHGUZCASSALHIW-LURJTMIESA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine. Following Lipinski's Rule of Five, (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine has 1 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 (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine is 1049978-44-0.
The molecular formula of (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine is C11H11Cl2N3OS.
The molecular weight of (1S)-1-{5-[(2,6-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine is 303.0 g/mol.
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