TL;DR: Ethanamine, 2-(hexylthio)-, hydrochloride (CAS 121028-76-0) is a chemical compound with molecular formula C8H20ClNS and molecular weight 197.1005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexylsulfanylethanamine;hydrochloride
Also Known As: hexyl thioethylamine hydrochloride, Ethanamine, 2-(hexylthio)-, hydrochloride, 2-hexylsulfanylethanamine hydrochloride, 2-(Hexiltio)etilamina, clorhidrato [Spanish]
| Molecular Formula | C8H20ClNS |
| Molecular Weight | 197.1005 g/mol |
| XLogP | 2.6804 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 197.1005 Da |
| Heavy Atoms | 11 |
| Complexity | 57.0 |
| SMILES | CCCCCCSCCN.Cl |
| InChIKey | RBPXWEAXSBRZBU-UHFFFAOYSA-N |
The XLogP value of 2.6804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanamine, 2-(hexylthio)-, hydrochloride. With a topological polar surface area (TPSA) of 51.3 Ų, Ethanamine, 2-(hexylthio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanamine, 2-(hexylthio)-, hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanamine, 2-(hexylthio)-, hydrochloride is 121028-76-0.
The molecular formula of Ethanamine, 2-(hexylthio)-, hydrochloride is C8H20ClNS.
The molecular weight of Ethanamine, 2-(hexylthio)-, hydrochloride is 197.1005 g/mol.
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