![2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile structure](/static/products/3118/311810-06-7.webp)
2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile
TL;DR: 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile (CAS 311810-06-7) is a chemical compound with molecular formula C21H16N4OS3 and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile
Also Known As: 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile, 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile, 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-bis(thiophen-2-yl)pyridine-3-carbonitrile, 2-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4,6-di(thiophen-2-yl)nicotinonitrile, 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile
| Molecular Formula | C21H16N4OS3 |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 5.65612 |
| Topological Polar Surface Area | 71.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.0486 |
| Heavy Atoms | 29 |
| Complexity | 1201.7686 |
Chemical Identifiers
| CAS Number | 311810-06-7 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CS4)C#N)C |
Product Overview
2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile (CAS 311810-06-7), with molecular formula C21H16N4OS3 and molecular weight 436.05 g/mol. IUPAC: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile
Property Insights of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile
The XLogP value of 5.65612 indicates that 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile?
The CAS number of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile is 311810-06-7.
What is the molecular formula of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile?
The molecular formula of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile is C21H16N4OS3.
What is the molecular weight of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile?
The molecular weight of 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile is 436.05 g/mol.
Where can I buy 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile?
You can request a quote for 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(2-thienyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.