TL;DR: 2-({2-[2-(Dimethylamino)propyl]phenyl}sulfanyl)phenol (CAS 128959-38-6) is a chemical compound with molecular formula C17H21NOS and molecular weight 287.1344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol
Also Known As: 2-({2-[2-(dimethylamino)propyl]phenyl}sulfanyl)phenol, AE-641/30177025, 2-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol, GNF-Pf-2976
| Molecular Formula | C17H21NOS |
| Molecular Weight | 287.1344 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.1344 Da |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
| SMILES | CC(CC1=CC=CC=C1SC2=CC=CC=C2O)N(C)C |
| InChIKey | IYZPSKNKXWSFJB-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2-({2-[2-(Dimethylamino)propyl]phenyl}sulfanyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 2-({2-[2-(Dimethylamino)propyl]phenyl}sulfanyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({2-[2-(Dimethylamino)propyl]phenyl}sulfanyl)phenol 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 2-({2-[2-(Dimethylamino)propyl]phenyl}sulfanyl)phenol is 128959-38-6.
The molecular formula of 2-({2-[2-(Dimethylamino)propyl]phenyl}sulfanyl)phenol is C17H21NOS.
The molecular weight of 2-({2-[2-(Dimethylamino)propyl]phenyl}sulfanyl)phenol is 287.1344 g/mol.
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