Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate
TL;DR: Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate (CAS 1024431-85-3) is a chemical compound with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate
Also Known As: methyl 2-(3-nitrilo-4-nitrophenylthio)acetate, methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate, Methyl 2-((3-cyano-4-nitrophenyl)thio)acetate, Methyl 2-(3-cyano-4-nitro-phenyl)sulfanylacetate, methyl 2-[(3-cyano-4-nitrophenyl)sulfanyl]acetate
| Molecular Formula | C10H8N2O4S |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 1.73158 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.02048 |
| Heavy Atoms | 17 |
| Complexity | 495.56952 |
Chemical Identifiers
| CAS Number | 1024431-85-3 |
|---|---|
| SMILES | COC(=O)CSC1=CC(=C(C=C1)[N+](=O)[O-])C#N |
Product Overview
Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate (CAS 1024431-85-3), with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol. IUPAC: methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate.
Chemical Property Profile of Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate
Property Insights of Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate
The XLogP value of 1.73158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate. Following Lipinski's Rule of Five, Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate?
The CAS number of Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate is 1024431-85-3.
What is the molecular formula of Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate?
The molecular formula of Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate is C10H8N2O4S.
What is the molecular weight of Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate?
The molecular weight of Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate is 252.02 g/mol.
Where can I buy Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate?
You can request a quote for Methyl 2-(3-cyano-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 Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-cyano-4-nitrophenyl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.