Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester) (CAS 929-40-8) is a chemical compound with molecular formula C14H31NO3S2 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-sulfosulfanylethylamino)dodecane
Also Known As: 2-Dodecylaminoethanethiol hydrogen sulfate (ester), Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester), 1-(2-sulfosulfanylethylamino)dodecane, s-[2-(dodecylamino)ethyl] hydrogen sulfurothioate, {[2-(dodecylamino)ethyl]sulfanyl}sulfonic acid
| Molecular Formula | C14H31NO3S2 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 325.17453 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 929-40-8 |
|---|---|
| SMILES | CCCCCCCCCCCCNCCSS(=O)(=O)O |
| InChIKey | UBWNEPDEJMUZTC-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester) (CAS 929-40-8), with molecular formula C14H31NO3S2 and molecular weight 325.17 g/mol. IUPAC: 1-(2-sulfosulfanylethylamino)dodecane.
Chemical Property Profile of Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester). The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-dodecylamino-, 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-dodecylamino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester) is 929-40-8.
What is the molecular formula of Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester) is C14H31NO3S2.
What is the molecular weight of Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester) is 325.17 g/mol.
Where can I buy Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-dodecylamino-, 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-dodecylamino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-dodecylamino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.