4-(p-Nitrophenylthio)aniline
TL;DR: 4-(p-Nitrophenylthio)aniline (CAS 101-59-7) 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.
4-(4-nitrophenyl)sulfanylaniline
Also Known As: 4-Amino-4'-nitrodiphenyl sulfide, 4-((4-Nitrophenyl)thio)aniline, 4-(4-Nitrophenylthio)aniline, 4-(4-nitrophenyl)sulfanylaniline, 4-Amino-4'-nitrophenyl sulfide
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.7 |
| 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 | 254.0 |
Chemical Identifiers
| CAS Number | 101-59-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZBPKGHOGUVVDLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(p-Nitrophenylthio)aniline (CAS 101-59-7), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 4-(4-nitrophenyl)sulfanylaniline.
Chemical Property Profile of 4-(p-Nitrophenylthio)aniline
Property Insights of 4-(p-Nitrophenylthio)aniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(p-Nitrophenylthio)aniline. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(p-Nitrophenylthio)aniline. Following Lipinski's Rule of Five, 4-(p-Nitrophenylthio)aniline 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 4-(p-Nitrophenylthio)aniline?
The CAS number of 4-(p-Nitrophenylthio)aniline is 101-59-7.
What is the molecular formula of 4-(p-Nitrophenylthio)aniline?
The molecular formula of 4-(p-Nitrophenylthio)aniline is C12H10N2O2S.
What is the molecular weight of 4-(p-Nitrophenylthio)aniline?
The molecular weight of 4-(p-Nitrophenylthio)aniline is 246.05 g/mol.
Where can I buy 4-(p-Nitrophenylthio)aniline?
You can request a quote for 4-(p-Nitrophenylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(p-Nitrophenylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(p-Nitrophenylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.