Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester) (CAS 27976-15-4) is a chemical compound with molecular formula C11H25NO3S2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-1-(2-sulfosulfanylethylamino)hexane
Also Known As: s-{2-[(3,5,5-trimethylhexyl)amino]ethyl} hydrogen sulfurothioate, 2-((3,5,5-Trimethylhexyl)amino)ethanethiol hydrogen sulfate (ester), 3,5,5-trimethyl-1-(2-sulfosulfanylethylamino)hexane, Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester), ({2-[(3,5,5-trimethylhexyl)amino]ethyl}sulfanyl)sulfonic acid
| Molecular Formula | C11H25NO3S2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 283.1276 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 27976-15-4 |
|---|---|
| SMILES | CC(CCNCCSS(=O)(=O)O)CC(C)(C)C |
| InChIKey | JKHRRGNPYDEKGJ-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester) (CAS 27976-15-4), with molecular formula C11H25NO3S2 and molecular weight 283.13 g/mol. IUPAC: 3,5,5-trimethyl-1-(2-sulfosulfanylethylamino)hexane.
Chemical Property Profile of Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester). The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-((3,5,5-trimethylhexyl)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-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester) is 27976-15-4.
What is the molecular formula of Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester) is C11H25NO3S2.
What is the molecular weight of Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester) is 283.13 g/mol.
Where can I buy Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-((3,5,5-trimethylhexyl)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-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.