![N-Methyl-4-[(phenylsulfanyl)methyl]aniline structure](/static/products/1368/136849-68-8.webp)
N-Methyl-4-[(phenylsulfanyl)methyl]aniline
TL;DR: N-Methyl-4-[(phenylsulfanyl)methyl]aniline (CAS 136849-68-8) is a chemical compound with molecular formula C14H15NS and molecular weight 229.09251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-4-(phenylsulfanylmethyl)aniline
Also Known As: p-toluidine, n-methyl-, A-phenyl-thio-, N-Methyl-4-[(phenylsulfanyl)methyl]aniline, N-methyl-4-(phenylsulfanylmethyl)aniline
Technical Specifications
| Molecular Formula | C14H15NS |
| Molecular Weight | 229.09251 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.09251 Da |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
| SMILES | CNC1=CC=C(C=C1)CSC2=CC=CC=C2 |
| InChIKey | XCLYBKZPFJCVGS-UHFFFAOYSA-N |
Chemical Property Profile of N-Methyl-4-[(phenylsulfanyl)methyl]aniline
Property Insights of N-Methyl-4-[(phenylsulfanyl)methyl]aniline
The XLogP value of 3.9 indicates that N-Methyl-4-[(phenylsulfanyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, N-Methyl-4-[(phenylsulfanyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-4-[(phenylsulfanyl)methyl]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
What is the CAS number of N-Methyl-4-[(phenylsulfanyl)methyl]aniline?
The CAS number of N-Methyl-4-[(phenylsulfanyl)methyl]aniline is 136849-68-8.
What is the molecular formula of N-Methyl-4-[(phenylsulfanyl)methyl]aniline?
The molecular formula of N-Methyl-4-[(phenylsulfanyl)methyl]aniline is C14H15NS.
What is the molecular weight of N-Methyl-4-[(phenylsulfanyl)methyl]aniline?
The molecular weight of N-Methyl-4-[(phenylsulfanyl)methyl]aniline is 229.09251 g/mol.
Where can I buy N-Methyl-4-[(phenylsulfanyl)methyl]aniline?
You can request a quote for N-Methyl-4-[(phenylsulfanyl)methyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Methyl-4-[(phenylsulfanyl)methyl]aniline?
Yes, CoreyChem provides custom synthesis services for N-Methyl-4-[(phenylsulfanyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.