![1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene structure](/static/products/6932/69326-62-1.webp)
1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene
TL;DR: 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene (CAS 69326-62-1) is a chemical compound with molecular formula C8H10BrNS and molecular weight 230.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfanylethanamine
Also Known As: 2-((4-Bromophenyl)thio)ethanamine, 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene, aminoethylsulfanylbromobenzene, 2-(4-bromophenyl)sulfanylethanamine, 2-[(4-bromophenyl)thio]ethanamine hydrochloride
| Molecular Formula | C8H10BrNS |
|---|---|
| Molecular Weight | 230.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.97173 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 69326-62-1 |
|---|---|
| SMILES | C1=CC(=CC=C1SCCN)Br |
| InChIKey | ZVFKJMXTWOTCSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene (CAS 69326-62-1), with molecular formula C8H10BrNS and molecular weight 230.97 g/mol. IUPAC: 2-(4-bromophenyl)sulfanylethanamine.
Chemical Property Profile of 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene
Property Insights of 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene. With a topological polar surface area (TPSA) of 51.3 Ų, 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene 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 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene?
The CAS number of 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene is 69326-62-1.
What is the molecular formula of 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene?
The molecular formula of 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene is C8H10BrNS.
What is the molecular weight of 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene?
The molecular weight of 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene is 230.97 g/mol.
Where can I buy 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene?
You can request a quote for 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.