Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate
TL;DR: Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate (CAS 30880-65-0) is a chemical compound with molecular formula C10H10ClNO4S and molecular weight 275.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate
Also Known As: Maybridge1_003371, ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate, Ethyl [(2-chloro-4-nitrophenyl)sulfanyl]acetate, Acetic acid, 2-[(2-chloro-4-nitrophenyl)thio]-, ethyl ester
| Molecular Formula | C10H10ClNO4S |
|---|---|
| Molecular Weight | 275.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0019 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 30880-65-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | XMXQFUKGOHCVGN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate (CAS 30880-65-0), with molecular formula C10H10ClNO4S and molecular weight 275.00 g/mol. IUPAC: ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate
Property Insights of Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate
The XLogP value of 3.2 indicates that Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate has 0 hydrogen bond donor(s) and 5 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-(2-chloro-4-nitrophenyl)sulfanylacetate?
The CAS number of Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate is 30880-65-0.
What is the molecular formula of Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate?
The molecular formula of Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate is C10H10ClNO4S.
What is the molecular weight of Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate?
The molecular weight of Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate is 275.00 g/mol.
Where can I buy Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate?
You can request a quote for Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.