Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride
TL;DR: Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride (CAS 23545-57-5) is a chemical compound with molecular formula C6H17ClN2O3S2 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(2-sulfosulfanylethylamino)butane;hydrochloride
Also Known As: S-2-((4-Aminobutyl)amino)ethyl hydrogen thiosulfate hydrochloride, Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride, Thiosulfuric acid, S-(2-((4-aminobutyl)amino)ethyl) ester, hydrochloride, 1-amino-4-(2-sulfosulfanylethylamino)butane hydrochloride, s-{2-[(4-aminobutyl)amino]ethyl} hydrogen sulfurothioate hydrochloride(1:1)
| Molecular Formula | C6H17ClN2O3S2 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.03693 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 23545-57-5 |
|---|---|
| SMILES | C(CCNCCSS(=O)(=O)O)CN.Cl |
| InChIKey | JWBDZOOJFIQRMR-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride (CAS 23545-57-5), with molecular formula C6H17ClN2O3S2 and molecular weight 264.04 g/mol. IUPAC: 1-amino-4-(2-sulfosulfanylethylamino)butane;hydrochloride.
Chemical Property Profile of Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride
Property Insights of Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride. Following Lipinski's Rule of Five, Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride has 4 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-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride?
The CAS number of Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride is 23545-57-5.
What is the molecular formula of Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride?
The molecular formula of Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride is C6H17ClN2O3S2.
What is the molecular weight of Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride?
The molecular weight of Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride is 264.04 g/mol.
Where can I buy Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride?
You can request a quote for Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride 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-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.