1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile
TL;DR: 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile (CAS 58327-74-5) is a chemical compound with molecular formula C18H12N2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diphenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: starbld0019119, 3-Pyridinecarbonitrile, 2-mercapto-4,6-diphenyl-, 2-MERCAPTO-4,6-DIPHENYL-NICOTINONITRILE, 2-mercapto-4,6-diphenylnicotinonitrile, ROVDXPQJLHLOKY-UHFFFAOYSA-
| Molecular Formula | C18H12N2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.0721 |
| Heavy Atoms | 21 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 58327-74-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3 |
| InChIKey | ROVDXPQJLHLOKY-UHFFFAOYSA-N |
Product Overview
1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile (CAS 58327-74-5), with molecular formula C18H12N2S and molecular weight 288.07 g/mol. IUPAC: 4,6-diphenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile
Property Insights of 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile
The XLogP value of 3.5 indicates that 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile 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 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile?
The CAS number of 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile is 58327-74-5.
What is the molecular formula of 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile?
The molecular formula of 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile is C18H12N2S.
What is the molecular weight of 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile?
The molecular weight of 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile is 288.07 g/mol.
Where can I buy 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile?
You can request a quote for 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.