![3-[(4-Methylphenyl)thio]-5-nitroaniline structure](/static/products/4382/438217-89-1.webp)
3-[(4-Methylphenyl)thio]-5-nitroaniline
TL;DR: 3-[(4-Methylphenyl)thio]-5-nitroaniline (CAS 438217-89-1) 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.
3-(4-methylphenyl)sulfanyl-5-nitroaniline
Also Known As: 3-[(4-methylphenyl)thio]-5-nitroaniline, 3-Nitro-5-(p-tolylthio)aniline, 3-[(4-methylphenyl)sulfanyl]-5-nitroaniline, 3-(4-methylphenyl)sulfanyl-5-nitroaniline, 3-nitro-5-(p-tolylsulfanyl)aniline
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 3.63662 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 582.04517 |
Chemical Identifiers
| CAS Number | 438217-89-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N |
Product Overview
3-[(4-Methylphenyl)thio]-5-nitroaniline (CAS 438217-89-1), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 3-(4-methylphenyl)sulfanyl-5-nitroaniline.
Chemical Property Profile of 3-[(4-Methylphenyl)thio]-5-nitroaniline
Property Insights of 3-[(4-Methylphenyl)thio]-5-nitroaniline
The XLogP value of 3.63662 indicates that 3-[(4-Methylphenyl)thio]-5-nitroaniline 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 3-[(4-Methylphenyl)thio]-5-nitroaniline. Following Lipinski's Rule of Five, 3-[(4-Methylphenyl)thio]-5-nitroaniline 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 3-[(4-Methylphenyl)thio]-5-nitroaniline?
The CAS number of 3-[(4-Methylphenyl)thio]-5-nitroaniline is 438217-89-1.
What is the molecular formula of 3-[(4-Methylphenyl)thio]-5-nitroaniline?
The molecular formula of 3-[(4-Methylphenyl)thio]-5-nitroaniline is C13H12N2O2S.
What is the molecular weight of 3-[(4-Methylphenyl)thio]-5-nitroaniline?
The molecular weight of 3-[(4-Methylphenyl)thio]-5-nitroaniline is 260.06 g/mol.
Where can I buy 3-[(4-Methylphenyl)thio]-5-nitroaniline?
You can request a quote for 3-[(4-Methylphenyl)thio]-5-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methylphenyl)thio]-5-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methylphenyl)thio]-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.