Benzyltriethylammonium ethylxanthate
TL;DR: Benzyltriethylammonium ethylxanthate (CAS 19617-40-4) is a chemical compound with molecular formula C16H27NOS2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(triethyl)azanium;ethoxymethanedithioate
Also Known As: Benzyltriethylammonium ethylxanthate, Ammonium, o-ethyl dithiocarbonate, (Benzyltriethyl)ammonium ethylxanthate, Ammonium, (benzyltriethyl)-, o-ethyl dithiocarbonate, benzyl(triethyl)azanium,ethoxymethanedithioate
| Molecular Formula | C16H27NOS2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 3.92 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1534 |
| Heavy Atoms | 20 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 19617-40-4 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC1=CC=CC=C1.CCOC(=S)[S-] |
| InChIKey | ISBGPCCJBDZQQL-UHFFFAOYSA-M |
Product Overview
Benzyltriethylammonium ethylxanthate (CAS 19617-40-4), with molecular formula C16H27NOS2 and molecular weight 313.15 g/mol. IUPAC: benzyl(triethyl)azanium;ethoxymethanedithioate.
Chemical Property Profile of Benzyltriethylammonium ethylxanthate
Property Insights of Benzyltriethylammonium ethylxanthate
The XLogP value of 3.92 indicates that Benzyltriethylammonium ethylxanthate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, Benzyltriethylammonium ethylxanthate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyltriethylammonium ethylxanthate 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 Benzyltriethylammonium ethylxanthate?
The CAS number of Benzyltriethylammonium ethylxanthate is 19617-40-4.
What is the molecular formula of Benzyltriethylammonium ethylxanthate?
The molecular formula of Benzyltriethylammonium ethylxanthate is C16H27NOS2.
What is the molecular weight of Benzyltriethylammonium ethylxanthate?
The molecular weight of Benzyltriethylammonium ethylxanthate is 313.15 g/mol.
Where can I buy Benzyltriethylammonium ethylxanthate?
You can request a quote for Benzyltriethylammonium ethylxanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyltriethylammonium ethylxanthate?
Yes, KEHONG BIO provides custom synthesis services for Benzyltriethylammonium ethylxanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.