Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) (CAS 67226-90-8) is a chemical compound with molecular formula C13H19BrClNO3S2 and molecular weight 414.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-chloro-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene
Also Known As: Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester), 2-((4-(4-Bromo-6-chloro-o-tolyl)butyl)amino)ethanethiol, hydrogen sulfate (ester), 5-bromo-1-chloro-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene, S-(2-{[4-(4-Bromo-2-chloro-6-methylphenyl)butyl]amino}ethyl) hydrogen sulfurothioate, Thiosulfuric acid (H2S2O3), S-[2-[[4-(4-bromo-2-chloro-6-methylphenyl)butyl]amino]ethyl] ester
| Molecular Formula | C13H19BrClNO3S2 |
|---|---|
| Molecular Weight | 414.97 g/mol |
| LogP | 3.85922 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.96783 |
| Heavy Atoms | 21 |
| Complexity | 543.52997 |
Chemical Identifiers
| CAS Number | 67226-90-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CCCCNCCSS(=O)(=O)O)Cl)Br |
Product Overview
Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) (CAS 67226-90-8), with molecular formula C13H19BrClNO3S2 and molecular weight 414.97 g/mol. IUPAC: 5-bromo-1-chloro-3-methyl-2-[4-(2-sulfosulfanylethylamino)butyl]benzene.
Chemical Property Profile of Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)
The XLogP value of 3.85922 indicates that Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 4 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 Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) is 67226-90-8.
What is the molecular formula of Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) is C13H19BrClNO3S2.
What is the molecular weight of Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) is 414.97 g/mol.
Where can I buy Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(4-(4-bromo-6-chloro-o-tolyl)butyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.