5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 128917-85-1) is a chemical compound with molecular formula C15H14N2S and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 5-benzyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, 5-benzyl-2-mercapto-4,6-dimethylnicotinonitrile, 5-Benzyl-2-mercapto-4,6-dimethyl-nicotinonitrile, 3-pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-5-(phenylmethyl)-2-thioxo-
| Molecular Formula | C15H14N2S |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.08777 |
| Heavy Atoms | 18 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 128917-85-1 |
|---|---|
| SMILES | CC1=C(C(=S)NC(=C1CC2=CC=CC=C2)C)C#N |
| InChIKey | RBGHVLAZSQXTLL-UHFFFAOYSA-N |
Product Overview
5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 128917-85-1), with molecular formula C15H14N2S and molecular weight 254.09 g/mol. IUPAC: 5-benzyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-Benzyl-4,6-dimethyl-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 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 128917-85-1.
What is the molecular formula of 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is C15H14N2S.
What is the molecular weight of 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 254.09 g/mol.
Where can I buy 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 5-Benzyl-4,6-dimethyl-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 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.