![2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline structure](/static/products/3227/322-71-4.webp)
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline
TL;DR: 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline (CAS 322-71-4) is a chemical compound with molecular formula C13H9F3N2O2S and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylaniline
Also Known As: Maybridge1_004113, 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylaniline, Benzenamine, 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-, 2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}aniline, 2'-Amino-2-nitro-4-trifluoromethyldiphenylsulfide
| Molecular Formula | C13H9F3N2O2S |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0337 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 322-71-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | RWSBANZPGBSQRS-UHFFFAOYSA-N |
Product Overview
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline (CAS 322-71-4), with molecular formula C13H9F3N2O2S and molecular weight 314.03 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylaniline.
Chemical Property Profile of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline
Property Insights of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline
The XLogP value of 4.0 indicates that 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline. Following Lipinski's Rule of Five, 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline has 1 hydrogen bond donor(s) and 7 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-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline?
The CAS number of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline is 322-71-4.
What is the molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline?
The molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline is C13H9F3N2O2S.
What is the molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline?
The molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline is 314.03 g/mol.
Where can I buy 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline?
You can request a quote for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.