N-Ethyl-N-((phenylthio)methyl)ethanamine
TL;DR: N-Ethyl-N-((phenylthio)methyl)ethanamine (CAS 533-50-6) is a chemical compound with molecular formula C11H17NS and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-(phenylsulfanylmethyl)ethanamine
Also Known As: N-ethyl-N-(phenylsulfanylmethyl)ethanamine, phenylthio-N,N-diethylamino methane, n-ethyl-n-[(phenylsulfanyl)methyl]ethanamine, N-Ethyl-N-((phenylthio)methyl)ethanamine, N-Ethyl-N-[(phenylthio)methyl]ethanamine
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 533-50-6 |
|---|---|
| SMILES | CCN(CC)CSC1=CC=CC=C1 |
| InChIKey | DXUICAWUODVBBQ-UHFFFAOYSA-N |
Product Overview
N-Ethyl-N-((phenylthio)methyl)ethanamine (CAS 533-50-6), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: N-ethyl-N-(phenylsulfanylmethyl)ethanamine.
Chemical Property Profile of N-Ethyl-N-((phenylthio)methyl)ethanamine
Property Insights of N-Ethyl-N-((phenylthio)methyl)ethanamine
The XLogP value of 3.3 indicates that N-Ethyl-N-((phenylthio)methyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, N-Ethyl-N-((phenylthio)methyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-N-((phenylthio)methyl)ethanamine has 0 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 N-Ethyl-N-((phenylthio)methyl)ethanamine?
The CAS number of N-Ethyl-N-((phenylthio)methyl)ethanamine is 533-50-6.
What is the molecular formula of N-Ethyl-N-((phenylthio)methyl)ethanamine?
The molecular formula of N-Ethyl-N-((phenylthio)methyl)ethanamine is C11H17NS.
What is the molecular weight of N-Ethyl-N-((phenylthio)methyl)ethanamine?
The molecular weight of N-Ethyl-N-((phenylthio)methyl)ethanamine is 195.11 g/mol.
Where can I buy N-Ethyl-N-((phenylthio)methyl)ethanamine?
You can request a quote for N-Ethyl-N-((phenylthio)methyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N-((phenylthio)methyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N-((phenylthio)methyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.