![2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid structure](/static/products/1028/1028-38-2.webp)
2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid
TL;DR: 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid (CAS 1028-38-2) is a chemical compound with molecular formula C9H9N3O4S and molecular weight 255.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(3-nitroanilino)-2-oxoethyl] carbamothioate
Also Known As: S-[2-(3-nitroanilino)-2-oxoethyl] carbamothioate, s-{2-[(3-nitrophenyl)amino]-2-oxoethyl} carbamothioate, 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid, {[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid
| Molecular Formula | C9H9N3O4S |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.03137 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 1028-38-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=O)N |
| InChIKey | AVBMWVLSJFTFPA-UHFFFAOYSA-N |
Product Overview
2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid (CAS 1028-38-2), with molecular formula C9H9N3O4S and molecular weight 255.03 g/mol. IUPAC: S-[2-(3-nitroanilino)-2-oxoethyl] carbamothioate.
Chemical Property Profile of 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid
Property Insights of 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid has 2 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 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid?
The CAS number of 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid is 1028-38-2.
What is the molecular formula of 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid?
The molecular formula of 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid is C9H9N3O4S.
What is the molecular weight of 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid?
The molecular weight of 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid is 255.03 g/mol.
Where can I buy 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid?
You can request a quote for 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(3-nitrophenyl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.