1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate
TL;DR: 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate (CAS 5462-99-7) is a chemical compound with molecular formula C22H46N2S and molecular weight 370.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl(octadecyl)azanium thiocyanate
Also Known As: trimethyl(octadecyl)azanium thiocyanate, trimethyl(octadecyl)azanium,thiocyanate, 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate, N,N,N-Trimethyloctadecan-1-aminium thiocyanate
| Molecular Formula | C22H46N2S |
|---|---|
| Molecular Weight | 370.34 g/mol |
| LogP | 6.96848 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 370.33817 |
| Heavy Atoms | 25 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 5462-99-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C(#N)[S-] |
| InChIKey | HQCHSIHXAUHUPV-UHFFFAOYSA-M |
Product Overview
1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate (CAS 5462-99-7), with molecular formula C22H46N2S and molecular weight 370.34 g/mol. IUPAC: trimethyl(octadecyl)azanium thiocyanate.
Chemical Property Profile of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate
Property Insights of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate
The XLogP value of 6.96848 indicates that 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.8 Ų, 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate?
The CAS number of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate is 5462-99-7.
What is the molecular formula of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate?
The molecular formula of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate is C22H46N2S.
What is the molecular weight of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate?
The molecular weight of 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate is 370.34 g/mol.
Where can I buy 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate?
You can request a quote for 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1-Octadecanaminium, N,N,N-trimethyl-, thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.