TL;DR: Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl- (CAS 128439-44-1) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol
Also Known As: 3-((2-((Dimethylamino)methyl)phenyl)sulfinyl)phenol, Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl-, N,N-Dimethyl-2-(3-hydroxyphenylthio)benzylamine S-oxide, 3-[2-(dimethylaminomethyl)phenyl]sulfinylphenol, 3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol
| Molecular Formula | C15H17NO2S |
| Molecular Weight | 275.098 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.098 Da |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
| SMILES | CN(C)CC1=CC=CC=C1S(=O)C2=CC=CC(=C2)O |
| InChIKey | MWJJIXOSZBGGMU-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl-. With a topological polar surface area (TPSA) of 59.8 Ų, Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl- is 128439-44-1.
The molecular formula of Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl- is C15H17NO2S.
The molecular weight of Phenol, 3-((2-(dimethylamino)methyl)phenyl)sulfinyl- is 275.098 g/mol.
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