1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium
TL;DR: 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium (CAS 134218-50-1) is a chemical compound with molecular formula C10H17N2OS+ and molecular weight 213.10616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylpropan-2-one
Also Known As: 4MeOTI Chloride, 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium, 1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylpropan-2-one, 1,3,4,5-tetramethyl-2-[(2-oxopropyl)sulfanyl]-1H-imidazol-3-ium
Technical Specifications
| Molecular Formula | C10H17N2OS+ |
| Molecular Weight | 213.10616 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.10616 Da |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
| SMILES | CC1=C([N+](=C(N1C)SCC(=O)C)C)C |
| InChIKey | QJKGQMMBPLFFKI-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium
Property Insights of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium?
The CAS number of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium is 134218-50-1.
What is the molecular formula of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium?
The molecular formula of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium is C10H17N2OS+.
What is the molecular weight of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium?
The molecular weight of 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium is 213.10616 g/mol.
Where can I buy 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium?
You can request a quote for 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium?
Yes, CoreyChem provides custom synthesis services for 1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.