2-(4-Methylphenyl)sulfanylethylazanium
TL;DR: 2-(4-Methylphenyl)sulfanylethylazanium (CAS 42404-23-9) is a chemical compound with molecular formula C9H14NS+ and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanylethylazanium
Also Known As: 2-(4-methylphenyl)sulfanylethylazanium, 2-[(4-Methylphenyl)sulfanyl]ethan-1-aminium
| Molecular Formula | C9H14NS+ |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.32902 |
| Topological Polar Surface Area | 27.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.0847 |
| Heavy Atoms | 11 |
| Complexity | 205.30765 |
Chemical Identifiers
| CAS Number | 42404-23-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC[NH3+] |
Product Overview
2-(4-Methylphenyl)sulfanylethylazanium (CAS 42404-23-9), with molecular formula C9H14NS+ and molecular weight 168.08 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylethylazanium.
Chemical Property Profile of 2-(4-Methylphenyl)sulfanylethylazanium
Property Insights of 2-(4-Methylphenyl)sulfanylethylazanium
The XLogP value of 1.32902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)sulfanylethylazanium. With a topological polar surface area (TPSA) of 27.64 Ų, 2-(4-Methylphenyl)sulfanylethylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)sulfanylethylazanium has 1 hydrogen bond donor(s) and 1 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 2-(4-Methylphenyl)sulfanylethylazanium?
The CAS number of 2-(4-Methylphenyl)sulfanylethylazanium is 42404-23-9.
What is the molecular formula of 2-(4-Methylphenyl)sulfanylethylazanium?
The molecular formula of 2-(4-Methylphenyl)sulfanylethylazanium is C9H14NS+.
What is the molecular weight of 2-(4-Methylphenyl)sulfanylethylazanium?
The molecular weight of 2-(4-Methylphenyl)sulfanylethylazanium is 168.08 g/mol.
Where can I buy 2-(4-Methylphenyl)sulfanylethylazanium?
You can request a quote for 2-(4-Methylphenyl)sulfanylethylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)sulfanylethylazanium?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)sulfanylethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.