(E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 168476-34-4) is a chemical compound with molecular formula C15H12N2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C15H12N2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07211 |
| Heavy Atoms | 18 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 168476-34-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=S)N1)C#N)/C=C/C2=CC=CC=C2 |
| InChIKey | PXCLOCSRFMKGES-BQYQJAHWSA-N |
Product Overview
(E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 168476-34-4), with molecular formula C15H12N2S and molecular weight 252.07 g/mol. IUPAC: 6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 168476-34-4.
What is the molecular formula of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is C15H12N2S.
What is the molecular weight of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 252.07 g/mol.
Where can I buy (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-methyl-4-styryl-2-thioxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.