N,N-diethyl-2-(2-nitrophenylthio)acetamide
TL;DR: N,N-diethyl-2-(2-nitrophenylthio)acetamide (CAS 459206-63-4) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-(2-nitrophenyl)sulfanylacetamide
Also Known As: N,N-diethyl(o-nitrophenylthio)acetamide, N,N-diethyl-2-(2-nitrophenylthio)acetamide, N,N-diethyl-2-[(2-nitrophenyl)sulfanyl]acetamide, N,N-diethyl-2-((2-nitrophenyl)thio)acetamide, N,N-diethyl-2-(2-nitrophenyl)sulfanylacetamide
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 2.5553 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 433.08563 |
Chemical Identifiers
| CAS Number | 459206-63-4 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
N,N-diethyl-2-(2-nitrophenylthio)acetamide (CAS 459206-63-4), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: N,N-diethyl-2-(2-nitrophenyl)sulfanylacetamide.
Chemical Property Profile of N,N-diethyl-2-(2-nitrophenylthio)acetamide
Property Insights of N,N-diethyl-2-(2-nitrophenylthio)acetamide
The XLogP value of 2.5553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-2-(2-nitrophenylthio)acetamide. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-2-(2-nitrophenylthio)acetamide. Following Lipinski's Rule of Five, N,N-diethyl-2-(2-nitrophenylthio)acetamide has 0 hydrogen bond donor(s) and 4 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-diethyl-2-(2-nitrophenylthio)acetamide?
The CAS number of N,N-diethyl-2-(2-nitrophenylthio)acetamide is 459206-63-4.
What is the molecular formula of N,N-diethyl-2-(2-nitrophenylthio)acetamide?
The molecular formula of N,N-diethyl-2-(2-nitrophenylthio)acetamide is C12H16N2O3S.
What is the molecular weight of N,N-diethyl-2-(2-nitrophenylthio)acetamide?
The molecular weight of N,N-diethyl-2-(2-nitrophenylthio)acetamide is 268.09 g/mol.
Where can I buy N,N-diethyl-2-(2-nitrophenylthio)acetamide?
You can request a quote for N,N-diethyl-2-(2-nitrophenylthio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-2-(2-nitrophenylthio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2-(2-nitrophenylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.