![2-[(3-Nitropyridin-4-yl)sulfanyl]aniline structure](/static/products/5035/50355-68-5.webp)
2-[(3-Nitropyridin-4-yl)sulfanyl]aniline
TL;DR: 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline (CAS 50355-68-5) is a chemical compound with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitro-4-pyridinyl)sulfanyl]aniline
Also Known As: 2-[(3-nitropyridin-4-yl)sulfanyl]aniline, 2-(3-nitropyridin-4-yl)sulfanylaniline, 2-(3-nitro-[4]pyridylmercapto)-aniline
| Molecular Formula | C11H9N3O2S |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04155 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 50355-68-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC2=C(C=NC=C2)[N+](=O)[O-] |
| InChIKey | NSMUMAYBVIVGIP-UHFFFAOYSA-N |
Product Overview
2-[(3-Nitropyridin-4-yl)sulfanyl]aniline (CAS 50355-68-5), with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol. IUPAC: 2-[(3-nitro-4-pyridinyl)sulfanyl]aniline.
Chemical Property Profile of 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline
Property Insights of 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline. Following Lipinski's Rule of Five, 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline 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 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline?
The CAS number of 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline is 50355-68-5.
What is the molecular formula of 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline?
The molecular formula of 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline is C11H9N3O2S.
What is the molecular weight of 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline?
The molecular weight of 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline is 247.04 g/mol.
Where can I buy 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline?
You can request a quote for 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Nitropyridin-4-yl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.