TL;DR: 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl- (CAS 61672-51-3) is a chemical compound with molecular formula C8H21NS+2 and molecular weight 163.13947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-dimethylsulfoniopropyl(trimethyl)azanium
Also Known As: 3-dimethylsulfoniopropyl(trimethyl)azanium, 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-, 3-(Dimethylsulfonio)-N,N,N-trimethylpropanaminium(2+), 3-dimethylsulfoniopropyl-trimethyl-azanium, [3-(Dimethylsulfonio)propyl]trimethylammonium
| Molecular Formula | C8H21NS+2 |
| Molecular Weight | 163.13947 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.13947 Da |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
| SMILES | C[N+](C)(C)CCC[S+](C)C |
| InChIKey | ZUCRBICXHIIFKM-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-. With a topological polar surface area (TPSA) of 1.0 Ų, 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl- is 61672-51-3.
The molecular formula of 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl- is C8H21NS+2.
The molecular weight of 1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl- is 163.13947 g/mol.
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