Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester) (CAS 27976-22-3) is a chemical compound with molecular formula C14H23NO3S2 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-sulfosulfanylethylamino)hexylbenzene
Also Known As: 6-(2-sulfosulfanylethylamino)hexylbenzene, 2-(6-Phenylhexyl)aminoethanethiol hydrogen sulfate (ester), Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester), s-{2-[(6-phenylhexyl)amino]ethyl} hydrogen sulfurothioate, ThiosulfuricacidhydrogenS-[2-[ amino]ethyl]ester
| Molecular Formula | C14H23NO3S2 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 317.11194 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 27976-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCCNCCSS(=O)(=O)O |
| InChIKey | CHDCOQRRIRGECX-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester) (CAS 27976-22-3), with molecular formula C14H23NO3S2 and molecular weight 317.11 g/mol. IUPAC: 6-(2-sulfosulfanylethylamino)hexylbenzene.
Chemical Property Profile of Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester). The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(6-phenylhexyl)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-(6-phenylhexyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester) is 27976-22-3.
What is the molecular formula of Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester) is C14H23NO3S2.
What is the molecular weight of Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester) is 317.11 g/mol.
Where can I buy Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(6-phenylhexyl)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-(6-phenylhexyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.