2-(2-Aminophenyl)sulfanylbenzonitrile
TL;DR: 2-(2-Aminophenyl)sulfanylbenzonitrile (CAS 140425-65-6) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-aminophenyl)sulfanylbenzonitrile
Also Known As: 2-((2-Aminophenyl)thio)benzonitrile, 2-(2-aminophenyl)sulfanylbenzonitrile, Benzonitrile, 2-[(2-aminophenyl)thio]-, 2-[(2-aminophenyl)sulfanyl]benzonitrile, 2-(2-aminophenylthio)benzonitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10N2S |
| Molecular Weight | 226.05647 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05647 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2N |
| InChIKey | RROSHIIMNNWHFW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Aminophenyl)sulfanylbenzonitrile
Property Insights of 2-(2-Aminophenyl)sulfanylbenzonitrile
The XLogP value of 3.0 indicates that 2-(2-Aminophenyl)sulfanylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Aminophenyl)sulfanylbenzonitrile. Following Lipinski's Rule of Five, 2-(2-Aminophenyl)sulfanylbenzonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-Aminophenyl)sulfanylbenzonitrile?
The CAS number of 2-(2-Aminophenyl)sulfanylbenzonitrile is 140425-65-6.
What is the molecular formula of 2-(2-Aminophenyl)sulfanylbenzonitrile?
The molecular formula of 2-(2-Aminophenyl)sulfanylbenzonitrile is C13H10N2S.
What is the molecular weight of 2-(2-Aminophenyl)sulfanylbenzonitrile?
The molecular weight of 2-(2-Aminophenyl)sulfanylbenzonitrile is 226.05647 g/mol.
Where can I buy 2-(2-Aminophenyl)sulfanylbenzonitrile?
You can request a quote for 2-(2-Aminophenyl)sulfanylbenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Aminophenyl)sulfanylbenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2-Aminophenyl)sulfanylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.