2-Amino-4'-nitrodiphenyl thioether
TL;DR: 2-Amino-4'-nitrodiphenyl thioether (CAS 76472-36-1) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfanylaniline
Also Known As: o-(p-Nitrophenylthio)aniline, 2-(4-Nitrophenylthio)aniline, 2-(4-nitro-phenylsulfanyl)-aniline, 2-[(4-nitrophenyl)sulfanyl]aniline, 2-(4-nitrophenyl)sulfanylaniline
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.3282 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 540.45685 |
Chemical Identifiers
| CAS Number | 76472-36-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Amino-4'-nitrodiphenyl thioether (CAS 76472-36-1), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-(4-nitrophenyl)sulfanylaniline.
Chemical Property Profile of 2-Amino-4'-nitrodiphenyl thioether
Property Insights of 2-Amino-4'-nitrodiphenyl thioether
The XLogP value of 3.3282 indicates that 2-Amino-4'-nitrodiphenyl thioether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4'-nitrodiphenyl thioether. Following Lipinski's Rule of Five, 2-Amino-4'-nitrodiphenyl thioether has 1 hydrogen bond donor(s) and 4 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-Amino-4'-nitrodiphenyl thioether?
The CAS number of 2-Amino-4'-nitrodiphenyl thioether is 76472-36-1.
What is the molecular formula of 2-Amino-4'-nitrodiphenyl thioether?
The molecular formula of 2-Amino-4'-nitrodiphenyl thioether is C12H10N2O2S.
What is the molecular weight of 2-Amino-4'-nitrodiphenyl thioether?
The molecular weight of 2-Amino-4'-nitrodiphenyl thioether is 246.05 g/mol.
Where can I buy 2-Amino-4'-nitrodiphenyl thioether?
You can request a quote for 2-Amino-4'-nitrodiphenyl thioether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4'-nitrodiphenyl thioether?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4'-nitrodiphenyl thioether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.