Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester) (CAS 929-41-9) is a chemical compound with molecular formula C15H33NO3S2 and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-sulfosulfanylethylamino)tridecane
Also Known As: 1-(2-sulfosulfanylethylamino)tridecane, 2-Tridecylaminoethanethiol hydrogen sulfate (ester), Thiosulfuric acid, S-(2-(tridecylamino)ethyl) ester, ThiosulfuricacidhydrogenS-[2- ethyl]ester, Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)
| Molecular Formula | C15H33NO3S2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 339.1902 |
| Heavy Atoms | 21 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 929-41-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCNCCSS(=O)(=O)O |
| InChIKey | MDCFFJPIOHVMNO-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester) (CAS 929-41-9), with molecular formula C15H33NO3S2 and molecular weight 339.19 g/mol. IUPAC: 1-(2-sulfosulfanylethylamino)tridecane.
Chemical Property Profile of Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)
The XLogP value of 3.0 indicates that Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-tridecylamino-, 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-tridecylamino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester) is 929-41-9.
What is the molecular formula of Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester) is C15H33NO3S2.
What is the molecular weight of Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester) is 339.19 g/mol.
Where can I buy Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-tridecylamino-, 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-tridecylamino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.