Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester) (CAS 23563-75-9) is a chemical compound with molecular formula C11H18N2O3S2 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-sulfosulfanylethylamino)propylamino]benzene
Also Known As: [3-(2-sulfosulfanylethylamino)propylamino]benzene|S-2-((3-Anilinopropyl)amino)ethyl hydrogen thiosulfate|2-[(3-Anilinopropyl)amino]ethanethiol sulfate|Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)|Thiosulfuric acid, S-(2-((3-anilinopropyl)amino)ethyl) ester|s-(2-{[3-(phenylamino)propyl]amino}ethyl) hydrogen sulfurothioate|[(2-{[3-(phenylamino)propyl]amino}ethyl)sulfanyl]sulfonic acid|S-{2-[(3-Anilinopropyl)amino]ethyl} hydrogen sulfurothioate|Thiosulfuric acid, S-[2-[(3-anilinopropyl)amino]ethyl] ester|RefChem:340274|DTXCID00100650
| Molecular Formula | C11H18N2O3S2 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 290.0759 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 23563-75-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCCNCCSS(=O)(=O)O |
| InChIKey | QFQFUYYLEUQHTP-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester) (CAS 23563-75-9), with molecular formula C11H18N2O3S2 and molecular weight 290.08 g/mol. IUPAC: [3-(2-sulfosulfanylethylamino)propylamino]benzene.
Chemical Property Profile of Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)
The XLogP value of -0.6 indicates that Ethanethiol, 2-((3-anilinopropyl)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-((3-anilinopropyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-((3-anilinopropyl)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-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester) is 23563-75-9.
What is the molecular formula of Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester) is C11H18N2O3S2.
What is the molecular weight of Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester) is 290.08 g/mol.
Where can I buy Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-((3-anilinopropyl)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-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.