2-Acetylthioethyltrimethylammonium bromide
TL;DR: 2-Acetylthioethyltrimethylammonium bromide (CAS 25025-59-6) is a chemical compound with molecular formula C7H16BrNOS and molecular weight 241.0136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetylsulfanylethyl(trimethyl)azanium bromide
Also Known As: Acetylthiocholine bromide, s-Acetylthiocholine bromide, 1-Hydroxyrutaecarpine, 2-Acetylthioethyltrimethylammonium bromide, S-ACETYLTHIOCHOLINEBROMIDE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H16BrNOS |
| Molecular Weight | 241.0136 g/mol |
| XLogP | -2.02 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.0136 Da |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
| SMILES | CC(=O)SCC[N+](C)(C)C.[Br-] |
| InChIKey | HQAPREJURVMGMB-UHFFFAOYSA-M |
Chemical Property Profile of 2-Acetylthioethyltrimethylammonium bromide
Property Insights of 2-Acetylthioethyltrimethylammonium bromide
The XLogP value of -2.02 indicates that 2-Acetylthioethyltrimethylammonium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Acetylthioethyltrimethylammonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylthioethyltrimethylammonium bromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Acetylthioethyltrimethylammonium bromide?
The CAS number of 2-Acetylthioethyltrimethylammonium bromide is 25025-59-6.
What is the molecular formula of 2-Acetylthioethyltrimethylammonium bromide?
The molecular formula of 2-Acetylthioethyltrimethylammonium bromide is C7H16BrNOS.
What is the molecular weight of 2-Acetylthioethyltrimethylammonium bromide?
The molecular weight of 2-Acetylthioethyltrimethylammonium bromide is 241.0136 g/mol.
Where can I buy 2-Acetylthioethyltrimethylammonium bromide?
You can request a quote for 2-Acetylthioethyltrimethylammonium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetylthioethyltrimethylammonium bromide?
Yes, CoreyChem provides custom synthesis services for 2-Acetylthioethyltrimethylammonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.