Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester) (CAS 927-30-0) is a chemical compound with molecular formula C10H23NO3S2 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfosulfanylethylamino)octane
Also Known As: 2-(2-sulfosulfanylethylamino)octane, Ethanethiol, hydrogen sulfate (ester), 2-(2-Octyl)aminoethanethiol hydrogen sulfate (ester), Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester), Thiosulfuric acid, S-(2-((1-methylheptyl)amino)ethyl) ester
| Molecular Formula | C10H23NO3S2 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 269.11194 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 927-30-0 |
|---|---|
| SMILES | CCCCCCC(C)NCCSS(=O)(=O)O |
| InChIKey | GELSHDSHYUNPQC-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester) (CAS 927-30-0), with molecular formula C10H23NO3S2 and molecular weight 269.11 g/mol. IUPAC: 2-(2-sulfosulfanylethylamino)octane.
Chemical Property Profile of Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester). The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 5 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-octyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester) is 927-30-0.
What is the molecular formula of Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester) is C10H23NO3S2.
What is the molecular weight of Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester) is 269.11 g/mol.
Where can I buy Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(2-octyl)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-octyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.