2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
TL;DR: 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CAS 119022-76-3) is a chemical compound with molecular formula C13H8N4S and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Also Known As: 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile, BAS 00589763, NCI60_027931, 2-amino-4-phenyl-6-sulfanylpyridine-3,5-dicarbonitrile, 6-Amino-4-phenyl-2-thioxo-1,2-dihydro-3,5-pyridinedicarbonitrile
| Molecular Formula | C13H8N4S |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.04697 |
| Heavy Atoms | 18 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 119022-76-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N |
| InChIKey | KTPFGSXXUDJFFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CAS 119022-76-3), with molecular formula C13H8N4S and molecular weight 252.05 g/mol. IUPAC: 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Property Insights of 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 4 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 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The CAS number of 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is 119022-76-3.
What is the molecular formula of 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The molecular formula of 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is C13H8N4S.
What is the molecular weight of 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The molecular weight of 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is 252.05 g/mol.
Where can I buy 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
You can request a quote for 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.