2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline
TL;DR: 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline (CAS 129846-94-2) is a chemical compound with molecular formula C13H12FNO2S2 and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)sulfanyl-5-methylsulfonylaniline
Also Known As: 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline, 2-(2-fluorophenyl)sulfanyl-5-methylsulfonylaniline, 2-(2-fluorophenylthio)-5-(methylsulfonyl)aniline, Benzenebutanamide,2-hydroxy-N,N-dimethyl-g-phenyl, 2-(2-fluorophenyl)sulfanyl-5-methylsulfonyl-aniline
| Molecular Formula | C13H12FNO2S2 |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 2.9626 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.02936 |
| Heavy Atoms | 19 |
| Complexity | 714.3332 |
Chemical Identifiers
| CAS Number | 129846-94-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2F)N |
Product Overview
2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline (CAS 129846-94-2), with molecular formula C13H12FNO2S2 and molecular weight 297.03 g/mol. IUPAC: 2-(2-fluorophenyl)sulfanyl-5-methylsulfonylaniline.
Chemical Property Profile of 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline
Property Insights of 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline
The XLogP value of 2.9626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline. Following Lipinski's Rule of Five, 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline 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-Fluorophenyl)thio)-5-(methylsulfonyl)aniline?
The CAS number of 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline is 129846-94-2.
What is the molecular formula of 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline?
The molecular formula of 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline is C13H12FNO2S2.
What is the molecular weight of 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline?
The molecular weight of 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline is 297.03 g/mol.
Where can I buy 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline?
You can request a quote for 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Fluorophenyl)thio)-5-(methylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.