2-(4-tert-Butylbenzylthio)ethylamine
TL;DR: 2-(4-tert-Butylbenzylthio)ethylamine (CAS 260802-42-4) is a chemical compound with molecular formula C13H21NS and molecular weight 223.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]ethanamine
Also Known As: 2-(4-tert-Butylbenzylthio)ethylamine, 2-[(4-tert-butylphenyl)methylsulfanyl]ethanamine, 2-((4-(tert-Butyl)benzyl)thio)ethanamine, 2-(4-TERT-BUTYLBENZYLTHIO)ETHYLA, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}ethanamine
| Molecular Formula | C13H21NS |
|---|---|
| Molecular Weight | 223.14 g/mol |
| LogP | 3.176 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.13947 |
| Heavy Atoms | 15 |
| Complexity | 284.3994 |
Chemical Identifiers
| CAS Number | 260802-42-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSCCN |
Product Overview
2-(4-tert-Butylbenzylthio)ethylamine (CAS 260802-42-4), with molecular formula C13H21NS and molecular weight 223.14 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]ethanamine.
Chemical Property Profile of 2-(4-tert-Butylbenzylthio)ethylamine
Property Insights of 2-(4-tert-Butylbenzylthio)ethylamine
The XLogP value of 3.176 indicates that 2-(4-tert-Butylbenzylthio)ethylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 2-(4-tert-Butylbenzylthio)ethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-tert-Butylbenzylthio)ethylamine 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 2-(4-tert-Butylbenzylthio)ethylamine?
The CAS number of 2-(4-tert-Butylbenzylthio)ethylamine is 260802-42-4.
What is the molecular formula of 2-(4-tert-Butylbenzylthio)ethylamine?
The molecular formula of 2-(4-tert-Butylbenzylthio)ethylamine is C13H21NS.
What is the molecular weight of 2-(4-tert-Butylbenzylthio)ethylamine?
The molecular weight of 2-(4-tert-Butylbenzylthio)ethylamine is 223.14 g/mol.
Where can I buy 2-(4-tert-Butylbenzylthio)ethylamine?
You can request a quote for 2-(4-tert-Butylbenzylthio)ethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-tert-Butylbenzylthio)ethylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-tert-Butylbenzylthio)ethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.