Ethanamine, 2-(phenylthio)-, hydrochloride
TL;DR: Ethanamine, 2-(phenylthio)-, hydrochloride (CAS 34946-13-9) is a chemical compound with molecular formula C8H12ClNS and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylethylazanium chloride
Also Known As: PAES, 2-(Phenylthio)ethanamine hydrochloride, 2-phenylsulfanylethylazanium;chloride, Phenyl-2-aminoethyl sulfide hydrochloride, 2-phenylsulfanylethylazanium chloride
| Molecular Formula | C8H12ClNS |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | -1.98 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.0379 |
| Heavy Atoms | 11 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 34946-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC[NH3+].[Cl-] |
| InChIKey | ZHXISMXDCUJVCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanamine, 2-(phenylthio)-, hydrochloride (CAS 34946-13-9), with molecular formula C8H12ClNS and molecular weight 189.04 g/mol. IUPAC: 2-phenylsulfanylethylazanium chloride.
Chemical Property Profile of Ethanamine, 2-(phenylthio)-, hydrochloride
Property Insights of Ethanamine, 2-(phenylthio)-, hydrochloride
The XLogP value of -1.98 indicates that Ethanamine, 2-(phenylthio)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.9 Ų, Ethanamine, 2-(phenylthio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanamine, 2-(phenylthio)-, hydrochloride 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
Frequently Asked Questions
What is the CAS number of Ethanamine, 2-(phenylthio)-, hydrochloride?
The CAS number of Ethanamine, 2-(phenylthio)-, hydrochloride is 34946-13-9.
What is the molecular formula of Ethanamine, 2-(phenylthio)-, hydrochloride?
The molecular formula of Ethanamine, 2-(phenylthio)-, hydrochloride is C8H12ClNS.
What is the molecular weight of Ethanamine, 2-(phenylthio)-, hydrochloride?
The molecular weight of Ethanamine, 2-(phenylthio)-, hydrochloride is 189.04 g/mol.
Where can I buy Ethanamine, 2-(phenylthio)-, hydrochloride?
You can request a quote for Ethanamine, 2-(phenylthio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanamine, 2-(phenylthio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanamine, 2-(phenylthio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.