p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride
TL;DR: p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride (CAS 13116-79-5) is a chemical compound with molecular formula C20H33ClN2S2 and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(decylamino)ethyldisulfanyl]methyl]benzonitrile;hydrochloride
Also Known As: p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride, alpha-((2-(Decylamino)ethyl)dithio)-p-tolunitrile monohydrochloride, 4-[[2-(decylamino)ethyldisulfanyl]methyl]benzonitrile hydrochloride, 4-({[2-(Decylamino)ethyl]disulfanyl}methyl)benzonitrile--hydrogen chloride (1/1)
| Molecular Formula | C20H33ClN2S2 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 6.59178 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 400.17737 |
| Heavy Atoms | 25 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 13116-79-5 |
|---|---|
| SMILES | CCCCCCCCCCNCCSSCC1=CC=C(C=C1)C#N.Cl |
| InChIKey | PTLWULDERYYLJM-UHFFFAOYSA-N |
Product Overview
p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride (CAS 13116-79-5), with molecular formula C20H33ClN2S2 and molecular weight 400.18 g/mol. IUPAC: 4-[[2-(decylamino)ethyldisulfanyl]methyl]benzonitrile;hydrochloride.
Chemical Property Profile of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride
Property Insights of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride
The XLogP value of 6.59178 indicates that p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride. Following Lipinski's Rule of Five, p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
The CAS number of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride is 13116-79-5.
What is the molecular formula of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
The molecular formula of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride is C20H33ClN2S2.
What is the molecular weight of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
The molecular weight of p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride is 400.18 g/mol.
Where can I buy p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
You can request a quote for p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for p-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.