![2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile structure](/static/products/1903/190328-54-2.webp)
2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile
TL;DR: 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile (CAS 190328-54-2) is a chemical compound with molecular formula C13H9FN2S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminophenyl)sulfanyl-6-fluorobenzonitrile
Also Known As: 2-[(2-aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile, 2-[(2-aminophenyl)sulfanyl]-6-fluorobenzonitrile, 2-(2-aminophenyl)sulfanyl-6-fluorobenzonitrile, 2-(2-aminophenyl)sulfanyl-6-fluoro-benzonitrile, Benzonitrile, 2-[(2-aminophenyl)thio]-6-fluoro-
| Molecular Formula | C13H9FN2S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.43078 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.04704 |
| Heavy Atoms | 17 |
| Complexity | 590.2136 |
Chemical Identifiers
| CAS Number | 190328-54-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC2=CC=CC(=C2C#N)F |
Product Overview
2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile (CAS 190328-54-2), with molecular formula C13H9FN2S and molecular weight 244.05 g/mol. IUPAC: 2-(2-aminophenyl)sulfanyl-6-fluorobenzonitrile.
Chemical Property Profile of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile
Property Insights of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile
The XLogP value of 3.43078 indicates that 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.81 Ų, 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile 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
Frequently Asked Questions
What is the CAS number of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile?
The CAS number of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile is 190328-54-2.
What is the molecular formula of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile?
The molecular formula of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile is C13H9FN2S.
What is the molecular weight of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile?
The molecular weight of 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile is 244.05 g/mol.
Where can I buy 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile?
You can request a quote for 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile 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]-6-fluorobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Aminophenyl)sulfanyl]-6-fluorobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.