Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride
TL;DR: Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride (CAS 25005-96-3) is a chemical compound with molecular formula C4H9Cl4NOS and molecular weight 258.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-aminoethylsulfanyl)-2,2,2-trichloroethanol;hydrochloride
Also Known As: KST-1B2231, 1-(2-Aminoethylthio)-2,2,2-trichloroethanol hydrochloride, 1-[(2-aminoethyl)sulfanyl]-2,2,2-trichloroethanol hydrochloride(1:1), Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride, 1-(2-aminoethylsulfanyl)-2,2,2-trichloroethanol hydrochloride
| Molecular Formula | C4H9Cl4NOS |
|---|---|
| Molecular Weight | 258.92 g/mol |
| LogP | 1.7887 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.9159 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 25005-96-3 |
|---|---|
| SMILES | C(CSC(C(Cl)(Cl)Cl)O)N.Cl |
| InChIKey | KFMGUKOHOKUSJC-UHFFFAOYSA-N |
Product Overview
Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride (CAS 25005-96-3), with molecular formula C4H9Cl4NOS and molecular weight 258.92 g/mol. IUPAC: 1-(2-aminoethylsulfanyl)-2,2,2-trichloroethanol;hydrochloride.
Chemical Property Profile of Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride
Property Insights of Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride
The XLogP value of 1.7887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride. Following Lipinski's Rule of Five, Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride has 3 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 Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride?
The CAS number of Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride is 25005-96-3.
What is the molecular formula of Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride?
The molecular formula of Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride is C4H9Cl4NOS.
What is the molecular weight of Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride?
The molecular weight of Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride is 258.92 g/mol.
Where can I buy Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride?
You can request a quote for Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 1-(2-aminoethylthio)-2,2,2-trichloro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.