N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine
TL;DR: N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine (CAS 6006-18-4) is a chemical compound with molecular formula C12H19NS and molecular weight 209.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-phenylsulfanylethanamine
Also Known As: N,N-diethyl-2-phenylsulfanylethanamine, Ethanamine, N,N-diethyl-2-(phenylthio)-, N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine
| Molecular Formula | C12H19NS |
|---|---|
| Molecular Weight | 209.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 209.12383 |
| Heavy Atoms | 14 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 6006-18-4 |
|---|---|
| SMILES | CCN(CC)CCSC1=CC=CC=C1 |
| InChIKey | MMCAURPNURWIAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine (CAS 6006-18-4), with molecular formula C12H19NS and molecular weight 209.12 g/mol. IUPAC: N,N-diethyl-2-phenylsulfanylethanamine.
Chemical Property Profile of N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine
Property Insights of N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine
The XLogP value of 3.2 indicates that N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine 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,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine 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,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine?
The CAS number of N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine is 6006-18-4.
What is the molecular formula of N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine?
The molecular formula of N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine is C12H19NS.
What is the molecular weight of N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine?
The molecular weight of N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine is 209.12 g/mol.
Where can I buy N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine?
You can request a quote for N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.