Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)
TL;DR: Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) (CAS 80983-29-5) is a chemical compound with molecular formula C8H18INO2S and molecular weight 319.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-2-methylsulfanylethyl)-trimethylazanium iodide
Also Known As: Acetyl-beta-(methylthio)choline, ACETYL-SS-(METHYLTHIO)CHOLINE, ACETYL-beta-(METHYLTHIO)CHOLINE IODIDE, ACETYL-BETA-(METHYLTHIO)CHOLINEIODIDE, (2-acetyloxy-2-methylsulfanylethyl)-trimethylazanium iodide
| Molecular Formula | C8H18INO2S |
|---|---|
| Molecular Weight | 319.01 g/mol |
| LogP | -2.0512 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0103 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 80983-29-5 |
|---|---|
| SMILES | CC(=O)OC(C[N+](C)(C)C)SC.[I-] |
| InChIKey | LORWSVWIYAMABC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) (CAS 80983-29-5), with molecular formula C8H18INO2S and molecular weight 319.01 g/mol. IUPAC: (2-acetyloxy-2-methylsulfanylethyl)-trimethylazanium iodide.
Chemical Property Profile of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)
Property Insights of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)
The XLogP value of -2.0512 indicates that Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.6 Ų, Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)?
The CAS number of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) is 80983-29-5.
What is the molecular formula of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)?
The molecular formula of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) is C8H18INO2S.
What is the molecular weight of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)?
The molecular weight of Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) is 319.01 g/mol.
Where can I buy Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)?
You can request a quote for Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-2-(methylthio)-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.