2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
TL;DR: 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile (CAS 78564-31-5) is a chemical compound with molecular formula C20H16N2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2-(ethylsulfanyl)-4,6-diphenylnicotinonitrile, 2-ethylsulfanyl-4,6-diphenylpyridine-3-carbonitrile, BAS 00851034, 2-(Ethylthio)-4,6-diphenylnicotinonitrile, 2-(ethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
| Molecular Formula | C20H16N2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 5.39928 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.10342 |
| Heavy Atoms | 23 |
| Complexity | 836.7657 |
Chemical Identifiers
| CAS Number | 78564-31-5 |
|---|---|
| SMILES | CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N |
Product Overview
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile (CAS 78564-31-5), with molecular formula C20H16N2S and molecular weight 316.10 g/mol. IUPAC: 2-ethylsulfanyl-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
Property Insights of 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
The XLogP value of 5.39928 indicates that 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile 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-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile?
The CAS number of 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile is 78564-31-5.
What is the molecular formula of 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile?
The molecular formula of 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile is C20H16N2S.
What is the molecular weight of 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile?
The molecular weight of 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile is 316.10 g/mol.
Where can I buy 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile?
You can request a quote for 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.