4-(2,4-Dimethylphenyl)sulfanylaniline
TL;DR: 4-(2,4-Dimethylphenyl)sulfanylaniline (CAS 900641-61-4) is a chemical compound with molecular formula C14H15NS and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylphenyl)sulfanylaniline
Also Known As: Vortioxetine Impurity 59, Vortioxetine Impurity 94, 4-(2,4-dimethylphenyl)sulfanylaniline, 4-[(2,4-DIMETHYLPHENYL)SULFANYL]ANILINE, 4-[(2,4-dimethylphenyl)thio]aniline
| Molecular Formula | C14H15NS |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 4.03684 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.09251 |
| Heavy Atoms | 16 |
| Complexity | 488.58856 |
Chemical Identifiers
| CAS Number | 900641-61-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SC2=CC=C(C=C2)N)C |
Product Overview
4-(2,4-Dimethylphenyl)sulfanylaniline (CAS 900641-61-4), with molecular formula C14H15NS and molecular weight 229.09 g/mol. IUPAC: 4-(2,4-dimethylphenyl)sulfanylaniline.
Chemical Property Profile of 4-(2,4-Dimethylphenyl)sulfanylaniline
Property Insights of 4-(2,4-Dimethylphenyl)sulfanylaniline
The XLogP value of 4.03684 indicates that 4-(2,4-Dimethylphenyl)sulfanylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(2,4-Dimethylphenyl)sulfanylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Dimethylphenyl)sulfanylaniline 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-(2,4-Dimethylphenyl)sulfanylaniline?
The CAS number of 4-(2,4-Dimethylphenyl)sulfanylaniline is 900641-61-4.
What is the molecular formula of 4-(2,4-Dimethylphenyl)sulfanylaniline?
The molecular formula of 4-(2,4-Dimethylphenyl)sulfanylaniline is C14H15NS.
What is the molecular weight of 4-(2,4-Dimethylphenyl)sulfanylaniline?
The molecular weight of 4-(2,4-Dimethylphenyl)sulfanylaniline is 229.09 g/mol.
Where can I buy 4-(2,4-Dimethylphenyl)sulfanylaniline?
You can request a quote for 4-(2,4-Dimethylphenyl)sulfanylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dimethylphenyl)sulfanylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dimethylphenyl)sulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.