TL;DR: Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, hydrochloride (CAS 63957-12-0) is a chemical compound with molecular formula C12H20ClNOS and molecular weight 261.0954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methoxyphenyl)sulfanyl-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: USAF A-12638, Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, hydrochloride, 4'-Succinoylamino-2,3'-dimethylazobenzene, N,N-Dimethyl-beta-(m-anisylthio)-n-propylamine hydrochloride, n-Propylamine, N,N-dimethyl-(m-anisylthio)-, hydrochloride
| Molecular Formula | C12H20ClNOS |
| Molecular Weight | 261.0954 g/mol |
| XLogP | 3.16 |
| Topological Polar Surface Area (TPSA) | 37.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.0954 Da |
| Heavy Atoms | 16 |
| Complexity | 175.0 |
| SMILES | CC(CN(C)C)SC1=CC=CC(=C1)OC.Cl |
| InChIKey | LNVXLJRXUYBMJI-UHFFFAOYSA-N |
The XLogP value of 3.16 indicates that Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.8 Ų, Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, 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 Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, hydrochloride is 63957-12-0.
The molecular formula of Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, hydrochloride is C12H20ClNOS.
The molecular weight of Propylamine, 2-(m-anisylthio)-N,N-dimethyl-, hydrochloride is 261.0954 g/mol.
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