![1-[4-(Methylthio)phenyl]ethanamine structure](/static/products/1217/1217456-30-8.webp)
1-[4-(Methylthio)phenyl]ethanamine
TL;DR: 1-[4-(Methylthio)phenyl]ethanamine (CAS 1217456-30-8) is a chemical compound with molecular formula C9H13NS and molecular weight 167.07687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylsulfanylphenyl)ethanamine
Also Known As: 1-[4-(Methylthio)phenyl]ethanamine, 1-[4-(methylsulfanyl)phenyl]ethan-1-amine, 1-(4-methylsulfanylphenyl)ethanamine, 1-(4-(Methylthio)phenyl)ethan-1-amine, 1-(4-methylthiophenyl)ethylamine
Technical Specifications
| Molecular Formula | C9H13NS |
| Molecular Weight | 167.07687 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.07687 Da |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
| SMILES | CC(C1=CC=C(C=C1)SC)N |
| InChIKey | YOYGMCGRAMSGSR-UHFFFAOYSA-N |
Chemical Property Profile of 1-[4-(Methylthio)phenyl]ethanamine
Property Insights of 1-[4-(Methylthio)phenyl]ethanamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(Methylthio)phenyl]ethanamine. With a topological polar surface area (TPSA) of 51.3 Ų, 1-[4-(Methylthio)phenyl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Methylthio)phenyl]ethanamine 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 1-[4-(Methylthio)phenyl]ethanamine?
The CAS number of 1-[4-(Methylthio)phenyl]ethanamine is 1217456-30-8.
What is the molecular formula of 1-[4-(Methylthio)phenyl]ethanamine?
The molecular formula of 1-[4-(Methylthio)phenyl]ethanamine is C9H13NS.
What is the molecular weight of 1-[4-(Methylthio)phenyl]ethanamine?
The molecular weight of 1-[4-(Methylthio)phenyl]ethanamine is 167.07687 g/mol.
Where can I buy 1-[4-(Methylthio)phenyl]ethanamine?
You can request a quote for 1-[4-(Methylthio)phenyl]ethanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[4-(Methylthio)phenyl]ethanamine?
Yes, CoreyChem provides custom synthesis services for 1-[4-(Methylthio)phenyl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.