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 246.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10N2O2S |
| Molecular Weight | 246.0463 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0463 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZBPKGHOGUVVDLF-UHFFFAOYSA-N |
Product Description
Applications: 4-(p-Nitrophenylthio)aniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-(p-Nitrophenylthio)aniline (CAS 101-59-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-(p-Nitrophenylthio)aniline is a heterocyclic building block identified by CAS number 101-59-7 and the molecular formula C12H10N2O2S and a molecular weight of 246.05 g/mol. It is also known as 4-Amino-4'-nitrodiphenyl sulfide and 4-((4-Nitrophenyl)thio)aniline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 246.0463 g/mol.
What are the applications of 4-(p-Nitrophenylthio)aniline?
4-(p-Nitrophenylthio)aniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 4-(p-Nitrophenylthio)aniline?
You can request a quote for 4-(p-Nitrophenylthio)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(p-Nitrophenylthio)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(p-Nitrophenylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.