![S-[4-(acetylamino)-3-nitrophenyl] ethanethioate structure](/static/products/1948/194801-17-7.webp)
S-[4-(acetylamino)-3-nitrophenyl] ethanethioate
TL;DR: S-[4-(acetylamino)-3-nitrophenyl] ethanethioate (CAS 194801-17-7) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-acetamido-3-nitrophenyl) ethanethioate
Also Known As: S-(4-acetamido-3-nitrophenyl) ethanethioate, S-[4-(acetylamino)-3-nitrophenyl] ethanethioate, N-(4-acetylsulfanyl-2-nitro-phenyl)acetamide
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 2.1918 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 487.19427 |
Chemical Identifiers
| CAS Number | 194801-17-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)SC(=O)C)[N+](=O)[O-] |
Product Overview
S-[4-(acetylamino)-3-nitrophenyl] ethanethioate (CAS 194801-17-7), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: S-(4-acetamido-3-nitrophenyl) ethanethioate.
Chemical Property Profile of S-[4-(acetylamino)-3-nitrophenyl] ethanethioate
Property Insights of S-[4-(acetylamino)-3-nitrophenyl] ethanethioate
The XLogP value of 2.1918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[4-(acetylamino)-3-nitrophenyl] ethanethioate. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[4-(acetylamino)-3-nitrophenyl] ethanethioate. Following Lipinski's Rule of Five, S-[4-(acetylamino)-3-nitrophenyl] ethanethioate has 1 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-[4-(acetylamino)-3-nitrophenyl] ethanethioate?
The CAS number of S-[4-(acetylamino)-3-nitrophenyl] ethanethioate is 194801-17-7.
What is the molecular formula of S-[4-(acetylamino)-3-nitrophenyl] ethanethioate?
The molecular formula of S-[4-(acetylamino)-3-nitrophenyl] ethanethioate is C10H10N2O4S.
What is the molecular weight of S-[4-(acetylamino)-3-nitrophenyl] ethanethioate?
The molecular weight of S-[4-(acetylamino)-3-nitrophenyl] ethanethioate is 254.04 g/mol.
Where can I buy S-[4-(acetylamino)-3-nitrophenyl] ethanethioate?
You can request a quote for S-[4-(acetylamino)-3-nitrophenyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[4-(acetylamino)-3-nitrophenyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[4-(acetylamino)-3-nitrophenyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.