![4-[(4-Methylphenyl)sulfanyl]aniline structure](/static/products/2286/22865-52-7.webp)
4-[(4-Methylphenyl)sulfanyl]aniline
TL;DR: 4-[(4-Methylphenyl)sulfanyl]aniline (CAS 22865-52-7) is a chemical compound with molecular formula C13H13NS and molecular weight 215.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanylaniline
Also Known As: 4-(p-Tolylthio)aniline, 4-[(4-methylphenyl)sulfanyl]aniline, 4-[(4-Methylphenyl)thio]aniline, 4-(4-methylphenyl)sulfanylaniline, 4-(p-tolylsulfanyl)aniline
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 22865-52-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(C=C2)N |
| InChIKey | AJSXOVAGVRPACZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(4-Methylphenyl)sulfanyl]aniline (CAS 22865-52-7), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 4-(4-methylphenyl)sulfanylaniline.
Chemical Property Profile of 4-[(4-Methylphenyl)sulfanyl]aniline
Property Insights of 4-[(4-Methylphenyl)sulfanyl]aniline
The XLogP value of 3.5 indicates that 4-[(4-Methylphenyl)sulfanyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 4-[(4-Methylphenyl)sulfanyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Methylphenyl)sulfanyl]aniline has 1 hydrogen bond donor(s) and 2 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-[(4-Methylphenyl)sulfanyl]aniline?
The CAS number of 4-[(4-Methylphenyl)sulfanyl]aniline is 22865-52-7.
What is the molecular formula of 4-[(4-Methylphenyl)sulfanyl]aniline?
The molecular formula of 4-[(4-Methylphenyl)sulfanyl]aniline is C13H13NS.
What is the molecular weight of 4-[(4-Methylphenyl)sulfanyl]aniline?
The molecular weight of 4-[(4-Methylphenyl)sulfanyl]aniline is 215.08 g/mol.
Where can I buy 4-[(4-Methylphenyl)sulfanyl]aniline?
You can request a quote for 4-[(4-Methylphenyl)sulfanyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methylphenyl)sulfanyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methylphenyl)sulfanyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.