4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile
TL;DR: 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile (CAS 78564-19-9) is a chemical compound with molecular formula C19H14N2S and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: KQMSDUBWVYUTPO-UHFFFAOYSA-, BAS 00758852, J1.226.505K, 2-mercapto-4-phenyl-6-(p-tolyl)nicotinonitrile, 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile
| Molecular Formula | C19H14N2S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 5.25829 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.08777 |
| Heavy Atoms | 22 |
| Complexity | 900.9055 |
Chemical Identifiers
| CAS Number | 78564-19-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3 |
Product Overview
4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile (CAS 78564-19-9), with molecular formula C19H14N2S and molecular weight 302.09 g/mol. IUPAC: 6-(4-methylphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile
Property Insights of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile
The XLogP value of 5.25829 indicates that 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile?
The CAS number of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile is 78564-19-9.
What is the molecular formula of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile?
The molecular formula of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile is C19H14N2S.
What is the molecular weight of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile?
The molecular weight of 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile is 302.09 g/mol.
Where can I buy 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile?
You can request a quote for 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-2-thioxo-6-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.