Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) (CAS 24054-92-0) is a chemical compound with molecular formula C12H18N2O6S2 and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Also Known As: S-2-((4-(p-Nitrophenoxy)butyl)amino)ethyl thiosulfate, 2-[4-(p-nitrophenoxy)butyl]aminoethanethiol sulfate, 2-((4-(p-Nitrophenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester), s-(2-{[4-(4-nitrophenoxy)butyl]amino}ethyl) hydrogen sulfurothioate, 1-nitro-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene
| Molecular Formula | C12H18N2O6S2 |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.06064 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 24054-92-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCCCCNCCSS(=O)(=O)O |
| InChIKey | ZCVXRVZBAKZWMU-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) (CAS 24054-92-0), with molecular formula C12H18N2O6S2 and molecular weight 350.06 g/mol. IUPAC: 1-nitro-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene.
Chemical Property Profile of Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)
The XLogP value of -0.9 indicates that Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 8 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-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) is 24054-92-0.
What is the molecular formula of Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) is C12H18N2O6S2.
What is the molecular weight of Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) is 350.06 g/mol.
Where can I buy Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(4-(p-nitrophenoxy)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-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.