Phenethylamine, beta-(isopropylthio)-, hydrochloride
TL;DR: Phenethylamine, beta-(isopropylthio)-, hydrochloride (CAS 104036-80-8) is a chemical compound with molecular formula C11H18ClNS and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-propan-2-ylsulfanylethanamine;hydrochloride
Also Known As: beta-Isopropylthio-beta-phenylethylamine hydrochloride, Phenethylamine, beta-(isopropylthio)-, hydrochloride, 2-phenyl-2-propan-2-ylsulfanyl-ethanamine hydrochloride, 2-phenyl-2-propan-2-ylsulfanylethanamine hydrochloride, 2-phenyl-2-propan-2-ylsulfanylethanamine;hydrochloride
| Molecular Formula | C11H18ClNS |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 3.2498 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08485 |
| Heavy Atoms | 14 |
| Complexity | 238.30266 |
Chemical Identifiers
| CAS Number | 104036-80-8 |
|---|---|
| SMILES | CC(C)SC(CN)C1=CC=CC=C1.Cl |
Product Overview
Phenethylamine, beta-(isopropylthio)-, hydrochloride (CAS 104036-80-8), with molecular formula C11H18ClNS and molecular weight 231.08 g/mol. IUPAC: 2-phenyl-2-propan-2-ylsulfanylethanamine;hydrochloride.
Chemical Property Profile of Phenethylamine, beta-(isopropylthio)-, hydrochloride
Property Insights of Phenethylamine, beta-(isopropylthio)-, hydrochloride
The XLogP value of 3.2498 indicates that Phenethylamine, beta-(isopropylthio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, Phenethylamine, beta-(isopropylthio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, beta-(isopropylthio)-, 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 Phenethylamine, beta-(isopropylthio)-, hydrochloride?
The CAS number of Phenethylamine, beta-(isopropylthio)-, hydrochloride is 104036-80-8.
What is the molecular formula of Phenethylamine, beta-(isopropylthio)-, hydrochloride?
The molecular formula of Phenethylamine, beta-(isopropylthio)-, hydrochloride is C11H18ClNS.
What is the molecular weight of Phenethylamine, beta-(isopropylthio)-, hydrochloride?
The molecular weight of Phenethylamine, beta-(isopropylthio)-, hydrochloride is 231.08 g/mol.
Where can I buy Phenethylamine, beta-(isopropylthio)-, hydrochloride?
You can request a quote for Phenethylamine, beta-(isopropylthio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethylamine, beta-(isopropylthio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, beta-(isopropylthio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.