2-Nitro-5-phenylthioaniline
TL;DR: 2-Nitro-5-phenylthioaniline (CAS 92114-64-2) 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-nitro-5-phenylsulfanylaniline
Also Known As: 2-Nitro-5-(phenylthio)aniline, Not Available, 2-Nitro-5-phenylthioaniline, 2-nitro-5-phenylsulfanylaniline, 5-Phenylthio-2-nitroaniline
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 92114-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])N |
| InChIKey | AJGJUXSVUPXOHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-5-phenylthioaniline (CAS 92114-64-2), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-nitro-5-phenylsulfanylaniline.
Chemical Property Profile of 2-Nitro-5-phenylthioaniline
Property Insights of 2-Nitro-5-phenylthioaniline
The XLogP value of 3.3 indicates that 2-Nitro-5-phenylthioaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-5-phenylthioaniline. Following Lipinski's Rule of Five, 2-Nitro-5-phenylthioaniline 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-Nitro-5-phenylthioaniline?
The CAS number of 2-Nitro-5-phenylthioaniline is 92114-64-2.
What is the molecular formula of 2-Nitro-5-phenylthioaniline?
The molecular formula of 2-Nitro-5-phenylthioaniline is C12H10N2O2S.
What is the molecular weight of 2-Nitro-5-phenylthioaniline?
The molecular weight of 2-Nitro-5-phenylthioaniline is 246.05 g/mol.
Where can I buy 2-Nitro-5-phenylthioaniline?
You can request a quote for 2-Nitro-5-phenylthioaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5-phenylthioaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5-phenylthioaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.