TL;DR: 2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride (CAS 1052523-71-3) is a chemical compound with molecular formula C11H14ClN3OS and molecular weight 271.0546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
Also Known As: 2-(5-(benzylthio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride, 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride, 2-[5-(phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride
| Molecular Formula | C11H14ClN3OS |
| Molecular Weight | 271.0546 g/mol |
| XLogP | 2.2849 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.0546 Da |
| Heavy Atoms | 17 |
| Complexity | 200.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(O2)CCN.Cl |
| InChIKey | YFNQNZDBYWOVNX-UHFFFAOYSA-N |
The XLogP value of 2.2849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride. Following Lipinski's Rule of Five, 2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride is 1052523-71-3.
The molecular formula of 2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride is C11H14ClN3OS.
The molecular weight of 2-[5-(Phenylmethylthio)-1,3,4-oxadiazol-2-yl]ethylamine, chloride is 271.0546 g/mol.
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