4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile
TL;DR: 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile (CAS 147992-77-6) is a chemical compound with molecular formula C12H9N3S and molecular weight 227.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 4-phenylamino-3-cyanopyridine-2-thione, 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile, 4-anilino-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 4-(phenylamino)-2-sulfanylpyridine-3-carbonitrile, 4-(phenylamino)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C12H9N3S |
|---|---|
| Molecular Weight | 227.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.05171 |
| Heavy Atoms | 16 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 147992-77-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=S)NC=C2)C#N |
| InChIKey | BHWRXDXEEBEYSK-UHFFFAOYSA-N |
Product Overview
4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile (CAS 147992-77-6), with molecular formula C12H9N3S and molecular weight 227.05 g/mol. IUPAC: 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile
Property Insights of 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile has 2 hydrogen bond donor(s) and 3 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 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The CAS number of 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile is 147992-77-6.
What is the molecular formula of 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The molecular formula of 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile is C12H9N3S.
What is the molecular weight of 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The molecular weight of 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile is 227.05 g/mol.
Where can I buy 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile?
You can request a quote for 4-anilino-2-sulfanylidene-1H-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-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-anilino-2-sulfanylidene-1H-pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.