4-methyl-N-(2-nitrophenyl)sulfanylaniline
TL;DR: 4-methyl-N-(2-nitrophenyl)sulfanylaniline (CAS 5443-83-4) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(2-nitrophenyl)sulfanylaniline
Also Known As: 4-methyl-N-(2-nitrophenyl)sulfanylaniline, N- -2-nitro-benzenesulfenamide, 4-methyl-n-[(2-nitrophenyl)sulfanyl]aniline, 4'-Methyl-2-nitrobenzolsulfenanilid, (4-methylphenyl)(2-nitrophenylthio)amine
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 5443-83-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | DUOCQDQMSWPLKI-UHFFFAOYSA-N |
Product Overview
4-methyl-N-(2-nitrophenyl)sulfanylaniline (CAS 5443-83-4), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 4-methyl-N-(2-nitrophenyl)sulfanylaniline.
Chemical Property Profile of 4-methyl-N-(2-nitrophenyl)sulfanylaniline
Property Insights of 4-methyl-N-(2-nitrophenyl)sulfanylaniline
The XLogP value of 4.1 indicates that 4-methyl-N-(2-nitrophenyl)sulfanylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-(2-nitrophenyl)sulfanylaniline. Following Lipinski's Rule of Five, 4-methyl-N-(2-nitrophenyl)sulfanylaniline 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-methyl-N-(2-nitrophenyl)sulfanylaniline?
The CAS number of 4-methyl-N-(2-nitrophenyl)sulfanylaniline is 5443-83-4.
What is the molecular formula of 4-methyl-N-(2-nitrophenyl)sulfanylaniline?
The molecular formula of 4-methyl-N-(2-nitrophenyl)sulfanylaniline is C13H12N2O2S.
What is the molecular weight of 4-methyl-N-(2-nitrophenyl)sulfanylaniline?
The molecular weight of 4-methyl-N-(2-nitrophenyl)sulfanylaniline is 260.06 g/mol.
Where can I buy 4-methyl-N-(2-nitrophenyl)sulfanylaniline?
You can request a quote for 4-methyl-N-(2-nitrophenyl)sulfanylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-(2-nitrophenyl)sulfanylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(2-nitrophenyl)sulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.