Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester) (CAS 953-22-0) is a chemical compound with molecular formula C10H15NO3S2 and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfosulfanylethylamino)ethylbenzene
Also Known As: 2-(2-sulfosulfanylethylamino)ethylbenzene, 2-Phenethylaminoethanethiol hydrogen sulfate (ester), Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester), Thiosulfuric acid, S-(2-(phenethylamino)ethyl) ester, Thiosulfuric acid, S-[2-(phenethylamino)ethyl] ester
| Molecular Formula | C10H15NO3S2 |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.04935 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 953-22-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNCCSS(=O)(=O)O |
| InChIKey | OPXLJUFZIAHIOA-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester) (CAS 953-22-0), with molecular formula C10H15NO3S2 and molecular weight 261.05 g/mol. IUPAC: 2-(2-sulfosulfanylethylamino)ethylbenzene.
Chemical Property Profile of Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)
The XLogP value of -1.2 indicates that Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-phenethylamino-, 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-phenethylamino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester) is 953-22-0.
What is the molecular formula of Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester) is C10H15NO3S2.
What is the molecular weight of Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester) is 261.05 g/mol.
Where can I buy Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-phenethylamino-, 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-phenethylamino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-phenethylamino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.