N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate
TL;DR: N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate (CAS 648859-95-4) is a chemical compound with molecular formula C13H17F5N2S2 and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate;triethylazanium
Also Known As: N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate, (pentafluorophenylcarbamothioyl)sulfanide; TEAH, [(pentafluorophenyl)carbamothioyl]sulfanide; triethylazanium, N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate; triethylazanium, N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate;triethylazanium
| Molecular Formula | C13H17F5N2S2 |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.5568 |
| Topological Polar Surface Area | 16.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.07532 |
| Heavy Atoms | 22 |
| Complexity | 487.1275 |
Chemical Identifiers
| CAS Number | 648859-95-4 |
|---|---|
| SMILES | CC[NH+](CC)CC.C1(=C(C(=C(C(=C1F)F)F)F)F)NC(=S)[S-] |
Product Overview
N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate (CAS 648859-95-4), with molecular formula C13H17F5N2S2 and molecular weight 360.08 g/mol. IUPAC: N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate;triethylazanium.
Chemical Property Profile of N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate
Property Insights of N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate
The XLogP value of 2.5568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate. With a topological polar surface area (TPSA) of 16.47 Ų, N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate has 2 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 N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate?
The CAS number of N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate is 648859-95-4.
What is the molecular formula of N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate?
The molecular formula of N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate is C13H17F5N2S2.
What is the molecular weight of N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate?
The molecular weight of N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate is 360.08 g/mol.
Where can I buy N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate?
You can request a quote for N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethylethan-1-aminium N-(2,3,4,5,6-pentafluorophenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.