![S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate structure](/static/products/3510/351003-16-2.webp)
S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate
TL;DR: S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate (CAS 351003-16-2) is a chemical compound with molecular formula C10H9NO4S and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate
Also Known As: 2-Acetylthio-3'-nitroacetophenone, S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate, 2-ACETYLTHIO-3'-NITROACETOPHENONE 97, 1-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylethanone, Ethanethioic acid,S-[2-(3-nitrophenyl)-2-oxoethyl] ester
| Molecular Formula | C10H9NO4S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 2.0572 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.02522 |
| Heavy Atoms | 16 |
| Complexity | 444.2001 |
Chemical Identifiers
| CAS Number | 351003-16-2 |
|---|---|
| SMILES | CC(=O)SCC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate (CAS 351003-16-2), with molecular formula C10H9NO4S and molecular weight 239.03 g/mol. IUPAC: S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate.
Chemical Property Profile of S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate
Property Insights of S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate
The XLogP value of 2.0572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate. Following Lipinski's Rule of Five, S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate 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 S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate?
The CAS number of S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate is 351003-16-2.
What is the molecular formula of S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate?
The molecular formula of S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate is C10H9NO4S.
What is the molecular weight of S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate?
The molecular weight of S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate is 239.03 g/mol.
Where can I buy S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate?
You can request a quote for S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-(3-nitrophenyl)-2-oxoethyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.