2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride
TL;DR: 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride (CAS 62674-72-0) is a chemical compound with molecular formula C18H20Cl2N2S and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile;hydrochloride
Also Known As: 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride, Benzeneacetonitrile, 2-((4-chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)-, monohydrochloride, 2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile hydrochloride, 2-{2-[(4-Chlorophenyl)sulfanyl]phenyl}-4-(dimethylamino)butanenitrile--hydrogen chloride (1/1), RefChem:324332
| Molecular Formula | C18H20Cl2N2S |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 5.47188 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.07242 |
| Heavy Atoms | 23 |
| Complexity | 650.81635 |
Chemical Identifiers
| CAS Number | 62674-72-0 |
|---|---|
| SMILES | CN(C)CCC(C#N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl.Cl |
Product Overview
2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride (CAS 62674-72-0), with molecular formula C18H20Cl2N2S and molecular weight 366.07 g/mol. IUPAC: 2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile;hydrochloride.
Chemical Property Profile of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride
Property Insights of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride
The XLogP value of 5.47188 indicates that 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride?
The CAS number of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride is 62674-72-0.
What is the molecular formula of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride?
The molecular formula of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride is C18H20Cl2N2S.
What is the molecular weight of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride?
The molecular weight of 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride is 366.07 g/mol.
Where can I buy 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride?
You can request a quote for 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenyl)thio)-alpha-(2-(dimethylamino)ethyl)benzeneacetonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.