![2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile structure](/static/products/2859/285985-67-3.webp)
2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile
TL;DR: 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 285985-67-3) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-[(2-aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile, 2-[(2-aminophenyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile, 3P-686S, 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile, 2-(2-aminophenylthio)-4,6-dimethylnicotinonitrile
| Molecular Formula | C14H13N3S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 3.30352 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.08302 |
| Heavy Atoms | 18 |
| Complexity | 629.42163 |
Chemical Identifiers
| CAS Number | 285985-67-3 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SC2=CC=CC=C2N)C |
Product Overview
2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile (CAS 285985-67-3), with molecular formula C14H13N3S and molecular weight 255.08 g/mol. IUPAC: 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile
Property Insights of 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile
The XLogP value of 3.30352 indicates that 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile has 1 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-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The CAS number of 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile is 285985-67-3.
What is the molecular formula of 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular formula of 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile is C14H13N3S.
What is the molecular weight of 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile?
The molecular weight of 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile is 255.08 g/mol.
Where can I buy 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile?
You can request a quote for 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.