Acetylthiocholine
TL;DR: Acetylthiocholine (CAS 4468-05-7) is a chemical compound with molecular formula C7H16NOS+ and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylsulfanylethyl(trimethyl)azanium
Also Known As: ACETYLTHIOCHOLINE, S-Acetylthiocholine, Acetylthiocholine chloride, Acetylthiocholine iodide, 2ha5
| Molecular Formula | C7H16NOS+ |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.09526 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 4468-05-7 |
|---|---|
| SMILES | CC(=O)SCC[N+](C)(C)C |
| InChIKey | GFFIJCYHQYHUHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetylthiocholine (CAS 4468-05-7), with molecular formula C7H16NOS+ and molecular weight 162.10 g/mol. IUPAC: 2-acetylsulfanylethyl(trimethyl)azanium.
Chemical Property Profile of Acetylthiocholine
Property Insights of Acetylthiocholine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylthiocholine. With a topological polar surface area (TPSA) of 42.4 Ų, Acetylthiocholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylthiocholine 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
Frequently Asked Questions
What is the CAS number of Acetylthiocholine?
The CAS number of Acetylthiocholine is 4468-05-7.
What is the molecular formula of Acetylthiocholine?
The molecular formula of Acetylthiocholine is C7H16NOS+.
What is the molecular weight of Acetylthiocholine?
The molecular weight of Acetylthiocholine is 162.10 g/mol.
Where can I buy Acetylthiocholine?
You can request a quote for Acetylthiocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylthiocholine?
Yes, KEHONG BIO provides custom synthesis services for Acetylthiocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.