m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride
TL;DR: m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride (CAS 13116-80-8) 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.
3-[[2-(decylamino)ethyldisulfanyl]methyl]benzonitrile;hydrochloride
Also Known As: m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride, alpha-((2-(Decylamino)ethyl)dithio)-m-tolunitrile monohydrochloride, 3-[[2-(decylamino)ethyldisulfanyl]methyl]benzonitrile hydrochloride, 3-({[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 | 327.0 |
Chemical Identifiers
| CAS Number | 13116-80-8 |
|---|---|
| SMILES | CCCCCCCCCCNCCSSCC1=CC(=CC=C1)C#N.Cl |
| InChIKey | CQLWOQJXLVCFEH-UHFFFAOYSA-N |
Product Overview
m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride (CAS 13116-80-8), with molecular formula C20H33ClN2S2 and molecular weight 400.18 g/mol. IUPAC: 3-[[2-(decylamino)ethyldisulfanyl]methyl]benzonitrile;hydrochloride.
Chemical Property Profile of m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride
Property Insights of m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride
The XLogP value of 6.59178 indicates that m-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 m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride. Following Lipinski's Rule of Five, m-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 m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
The CAS number of m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride is 13116-80-8.
What is the molecular formula of m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
The molecular formula of m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride is C20H33ClN2S2.
What is the molecular weight of m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
The molecular weight of m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride is 400.18 g/mol.
Where can I buy m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
You can request a quote for m-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 m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for m-Tolunitrile, alpha-((2-(decylamino)ethyl)dithio)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.