Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) (CAS 21902-56-7) is a chemical compound with molecular formula C13H21NO4S2 and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Also Known As: Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester), S-2-((4-(o-Tolyloxy)butyl)amino)ethyl thiosulfate, 2-[4-(o-Tolyloxy)butyl]aminoethanethiol sulfate, 1-methyl-2-[4-(2-sulfosulfanylethylamino)butoxy]benzene, 2-((4-(o-Tolyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
| Molecular Formula | C13H21NO4S2 |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 319.0912 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 21902-56-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCCCCNCCSS(=O)(=O)O |
| InChIKey | VPSIMYIIZAETSN-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) (CAS 21902-56-7), with molecular formula C13H21NO4S2 and molecular weight 319.09 g/mol. IUPAC: 1-methyl-2-[4-(2-sulfosulfanylethylamino)butoxy]benzene.
Chemical Property Profile of Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)
The XLogP value of -0.4 indicates that Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 6 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-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) is 21902-56-7.
What is the molecular formula of Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) is C13H21NO4S2.
What is the molecular weight of Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) is 319.09 g/mol.
Where can I buy Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(4-(o-tolyloxy)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-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.