3-Nitro-5-(2-pyridinylthio)benzenamine
TL;DR: 3-Nitro-5-(2-pyridinylthio)benzenamine (CAS 208038-99-7) 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.
3-nitro-5-pyridin-2-ylsulfanylaniline
Also Known As: 3-Nitro-5-(pyridin-2-ylthio)aniline, 3-Nitro-5-(pyridin-2-ylsulfanyl)-phenylamine, 3-nitro-5-(pyridin-2-ylsulfanyl)aniline, 3-nitro-5-pyridin-2-ylsulfanylaniline, 3-Nitro-5-(2-pyridinylthio)benzenamine
| Molecular Formula | C11H9N3O2S |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 2.4 |
| 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 | 208038-99-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N |
| InChIKey | PTXMBGKCLMMSEP-UHFFFAOYSA-N |
Product Overview
3-Nitro-5-(2-pyridinylthio)benzenamine (CAS 208038-99-7), with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol. IUPAC: 3-nitro-5-pyridin-2-ylsulfanylaniline.
Chemical Property Profile of 3-Nitro-5-(2-pyridinylthio)benzenamine
Property Insights of 3-Nitro-5-(2-pyridinylthio)benzenamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-5-(2-pyridinylthio)benzenamine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-5-(2-pyridinylthio)benzenamine. Following Lipinski's Rule of Five, 3-Nitro-5-(2-pyridinylthio)benzenamine 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 3-Nitro-5-(2-pyridinylthio)benzenamine?
The CAS number of 3-Nitro-5-(2-pyridinylthio)benzenamine is 208038-99-7.
What is the molecular formula of 3-Nitro-5-(2-pyridinylthio)benzenamine?
The molecular formula of 3-Nitro-5-(2-pyridinylthio)benzenamine is C11H9N3O2S.
What is the molecular weight of 3-Nitro-5-(2-pyridinylthio)benzenamine?
The molecular weight of 3-Nitro-5-(2-pyridinylthio)benzenamine is 247.04 g/mol.
Where can I buy 3-Nitro-5-(2-pyridinylthio)benzenamine?
You can request a quote for 3-Nitro-5-(2-pyridinylthio)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-5-(2-pyridinylthio)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-5-(2-pyridinylthio)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.