Thioacetic acid S-2-aminoethyl ester hydrochloride
TL;DR: Thioacetic acid S-2-aminoethyl ester hydrochloride (CAS 17612-91-8) is a chemical compound with molecular formula C4H10ClNOS and molecular weight 155.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylsulfanylethylazanium chloride
Also Known As: S-Acetylcysteamine hydrochloride, 2-acetylsulfanylethylazanium;chloride, 2-acetylsulfanylethylazanium chloride, S-Acetyl-2-mercaptoethylamine hydrochloride, Thioacetic acid S-2-aminoethyl ester hydrochloride
| Molecular Formula | C4H10ClNOS |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | -3.49 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.01717 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 17612-91-8 |
|---|---|
| SMILES | CC(=O)SCC[NH3+].[Cl-] |
| InChIKey | AWSDWONPEAAYIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thioacetic acid S-2-aminoethyl ester hydrochloride (CAS 17612-91-8), with molecular formula C4H10ClNOS and molecular weight 155.02 g/mol. IUPAC: 2-acetylsulfanylethylazanium chloride.
Chemical Property Profile of Thioacetic acid S-2-aminoethyl ester hydrochloride
Property Insights of Thioacetic acid S-2-aminoethyl ester hydrochloride
The XLogP value of -3.49 indicates that Thioacetic acid S-2-aminoethyl ester hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioacetic acid S-2-aminoethyl ester hydrochloride. Following Lipinski's Rule of Five, Thioacetic acid S-2-aminoethyl ester hydrochloride has 1 hydrogen bond donor(s) and 3 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 Thioacetic acid S-2-aminoethyl ester hydrochloride?
The CAS number of Thioacetic acid S-2-aminoethyl ester hydrochloride is 17612-91-8.
What is the molecular formula of Thioacetic acid S-2-aminoethyl ester hydrochloride?
The molecular formula of Thioacetic acid S-2-aminoethyl ester hydrochloride is C4H10ClNOS.
What is the molecular weight of Thioacetic acid S-2-aminoethyl ester hydrochloride?
The molecular weight of Thioacetic acid S-2-aminoethyl ester hydrochloride is 155.02 g/mol.
Where can I buy Thioacetic acid S-2-aminoethyl ester hydrochloride?
You can request a quote for Thioacetic acid S-2-aminoethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioacetic acid S-2-aminoethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thioacetic acid S-2-aminoethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.