S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium
TL;DR: S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium (CAS 14956-20-8) is a chemical compound with molecular formula C9H16INOS and molecular weight 313.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetylsulfanylbut-2-ynyl(trimethyl)azanium iodide
Also Known As: Sambtm, S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium, 4-(acetylsulfanyl)-n,n,n-trimethylbut-2-yn-1-aminium iodide, S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium iodide, 4-acetylsulfanylbut-2-ynyl(trimethyl)azanium iodide
| Molecular Formula | C9H16INOS |
|---|---|
| Molecular Weight | 313.00 g/mol |
| LogP | -2.0203 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.99973 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 14956-20-8 |
|---|---|
| SMILES | CC(=O)SCC#CC[N+](C)(C)C.[I-] |
| InChIKey | SJBSJEJXAYYTQA-UHFFFAOYSA-M |
Product Overview
S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium (CAS 14956-20-8), with molecular formula C9H16INOS and molecular weight 313.00 g/mol. IUPAC: 4-acetylsulfanylbut-2-ynyl(trimethyl)azanium iodide.
Chemical Property Profile of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium
Property Insights of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium
The XLogP value of -2.0203 indicates that S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium 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, S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium 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
Frequently Asked Questions
What is the CAS number of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium?
The CAS number of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium is 14956-20-8.
What is the molecular formula of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium?
The molecular formula of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium is C9H16INOS.
What is the molecular weight of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium?
The molecular weight of S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium is 313.00 g/mol.
Where can I buy S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium?
You can request a quote for S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Acetylmercaptobut-2-ynyl)trimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.