![Ethyl [(2,4-dinitrophenyl)thio]acetate structure](/static/products/851/85196-28-7.png)
Ethyl [(2,4-dinitrophenyl)thio]acetate
TL;DR: Ethyl [(2,4-dinitrophenyl)thio]acetate (CAS 85196-28-7) is a chemical compound with molecular formula C10H10N2O6S and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4-dinitrophenyl)sulfanylacetate
Also Known As: ethyl [(2,4-dinitrophenyl)thio]acetate, Ethyl 2-(2,4-dinitrophenyl)sulfanylacetate, ethyl[(2,4-dinitrophenyl)thio]acetate, ETHYL 2-((2,4-DINITROPHENYL)THIO)ACETATE, ethyl 2-(2,4-dinitrophenylthio)acetate
| Molecular Formula | C10H10N2O6S |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 2.1582 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.02597 |
| Heavy Atoms | 19 |
| Complexity | 518.7414 |
Chemical Identifiers
| CAS Number | 85196-28-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl [(2,4-dinitrophenyl)thio]acetate (CAS 85196-28-7), with molecular formula C10H10N2O6S and molecular weight 286.03 g/mol. IUPAC: ethyl 2-(2,4-dinitrophenyl)sulfanylacetate.
Chemical Property Profile of Ethyl [(2,4-dinitrophenyl)thio]acetate
Property Insights of Ethyl [(2,4-dinitrophenyl)thio]acetate
The XLogP value of 2.1582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(2,4-dinitrophenyl)thio]acetate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(2,4-dinitrophenyl)thio]acetate. Following Lipinski's Rule of Five, Ethyl [(2,4-dinitrophenyl)thio]acetate has 0 hydrogen bond donor(s) and 7 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 Ethyl [(2,4-dinitrophenyl)thio]acetate?
The CAS number of Ethyl [(2,4-dinitrophenyl)thio]acetate is 85196-28-7.
What is the molecular formula of Ethyl [(2,4-dinitrophenyl)thio]acetate?
The molecular formula of Ethyl [(2,4-dinitrophenyl)thio]acetate is C10H10N2O6S.
What is the molecular weight of Ethyl [(2,4-dinitrophenyl)thio]acetate?
The molecular weight of Ethyl [(2,4-dinitrophenyl)thio]acetate is 286.03 g/mol.
Where can I buy Ethyl [(2,4-dinitrophenyl)thio]acetate?
You can request a quote for Ethyl [(2,4-dinitrophenyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(2,4-dinitrophenyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(2,4-dinitrophenyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.