Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) (CAS 23563-74-8) is a chemical compound with molecular formula C10H16N2O3S2 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-sulfosulfanylethylamino)ethylamino]benzene
Also Known As: 2-[amino]ethanethiolsulfate, S-2-((Anilinoethyl)amino)ethyl hydrogen thiosulfate, [2-(2-sulfosulfanylethylamino)ethylamino]benzene, 2-[(2-Anilinoethyl)amino]ethanethiol sulfate, Thiosulfuric acid, S-(2-((2-anilinoethyl)amino)ethyl) ester
| Molecular Formula | C10H16N2O3S2 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 276.06024 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 23563-74-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCNCCSS(=O)(=O)O |
| InChIKey | MKLXZHHTNGKIQR-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) (CAS 23563-74-8), with molecular formula C10H16N2O3S2 and molecular weight 276.06 g/mol. IUPAC: [2-(2-sulfosulfanylethylamino)ethylamino]benzene.
Chemical Property Profile of Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)
The XLogP value of -1.5 indicates that Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) has 3 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-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) is 23563-74-8.
What is the molecular formula of Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) is C10H16N2O3S2.
What is the molecular weight of Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) is 276.06 g/mol.
Where can I buy Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-((2-anilinoethyl)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-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.