2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate
TL;DR: 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate (CAS 51661-05-3) is a chemical compound with molecular formula C13H16Cl2N2OS2 and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dichloroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
Also Known As: 2-((2,6-dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate, F0745-0720, [2-(2,6-dichloroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate, N-(2,6-dichlorophenyl)-2-[(diethylcarbamothioyl)sulfanyl]acetamide, diethylamino-(N-2,6-dichlorophenylcarbamoyl)methylcarbodithioate
| Molecular Formula | C13H16Cl2N2OS2 |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 4.2918 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.00812 |
| Heavy Atoms | 20 |
| Complexity | 473.00955 |
Chemical Identifiers
| CAS Number | 51661-05-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)NC1=C(C=CC=C1Cl)Cl |
Product Overview
2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate (CAS 51661-05-3), with molecular formula C13H16Cl2N2OS2 and molecular weight 350.01 g/mol. IUPAC: [2-(2,6-dichloroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate
Property Insights of 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate
The XLogP value of 4.2918 indicates that 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate has 1 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 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate?
The CAS number of 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate is 51661-05-3.
What is the molecular formula of 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate?
The molecular formula of 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate is C13H16Cl2N2OS2.
What is the molecular weight of 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate?
The molecular weight of 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate is 350.01 g/mol.
Where can I buy 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate?
You can request a quote for 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-Dichlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.