TL;DR: Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride (CAS 63918-81-0) is a chemical compound with molecular formula C13H22ClNOS and molecular weight 275.11105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-(2-methoxyphenyl)sulfanylethyl]azanium chloride
Also Known As: USAF A-12616, Triethylamine, 2-(o-anisylthio)-, hydrochloride, ETHYLAMINE, 2-(o-ANISYLTHIO)-N,N-DIETHYL-, HYDROCHLORIDE, N,N-Diethyl-beta-(o-anisylthio) ethylamine hydrochloride, Ethylamine, N,N-diethyl-beta-(o-anisylthio)-, hydrochloride
| Molecular Formula | C13H22ClNOS |
| Molecular Weight | 275.11105 g/mol |
| XLogP | -1.28 |
| Topological Polar Surface Area (TPSA) | 39.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.11105 Da |
| Heavy Atoms | 17 |
| Complexity | 173.0 |
| SMILES | CC[NH+](CC)CCSC1=CC=CC=C1OC.[Cl-] |
| InChIKey | GBOIYVIJFZESOB-UHFFFAOYSA-N |
The XLogP value of -1.28 indicates that Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.0 Ų, Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride is 63918-81-0.
The molecular formula of Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride is C13H22ClNOS.
The molecular weight of Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride is 275.11105 g/mol.
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