(4-Fluoro-2-nitrophenyl)(phenyl)sulfane
TL;DR: (4-Fluoro-2-nitrophenyl)(phenyl)sulfane (CAS 33358-34-8) is a chemical compound with molecular formula C12H8FNO2S and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-2-nitro-1-phenylsulfanylbenzene
Also Known As: (4-fluoro-2-nitrophenyl)(phenyl)sulfane, 4-fluoro-2-nitro-1-(phenylsulfanyl)benzene, Benzene, 4-fluoro-2-nitro-1-(phenylthio)-, 4-fluoro-2-nitro-1-phenylsulfanylbenzene, NCI60_021589
| Molecular Formula | C12H8FNO2S |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02597 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 33358-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)F)[N+](=O)[O-] |
| InChIKey | BPDDJSOPIZLNLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Fluoro-2-nitrophenyl)(phenyl)sulfane (CAS 33358-34-8), with molecular formula C12H8FNO2S and molecular weight 249.03 g/mol. IUPAC: 4-fluoro-2-nitro-1-phenylsulfanylbenzene.
Chemical Property Profile of (4-Fluoro-2-nitrophenyl)(phenyl)sulfane
Property Insights of (4-Fluoro-2-nitrophenyl)(phenyl)sulfane
The XLogP value of 3.9 indicates that (4-Fluoro-2-nitrophenyl)(phenyl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Fluoro-2-nitrophenyl)(phenyl)sulfane. Following Lipinski's Rule of Five, (4-Fluoro-2-nitrophenyl)(phenyl)sulfane has 0 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 (4-Fluoro-2-nitrophenyl)(phenyl)sulfane?
The CAS number of (4-Fluoro-2-nitrophenyl)(phenyl)sulfane is 33358-34-8.
What is the molecular formula of (4-Fluoro-2-nitrophenyl)(phenyl)sulfane?
The molecular formula of (4-Fluoro-2-nitrophenyl)(phenyl)sulfane is C12H8FNO2S.
What is the molecular weight of (4-Fluoro-2-nitrophenyl)(phenyl)sulfane?
The molecular weight of (4-Fluoro-2-nitrophenyl)(phenyl)sulfane is 249.03 g/mol.
Where can I buy (4-Fluoro-2-nitrophenyl)(phenyl)sulfane?
You can request a quote for (4-Fluoro-2-nitrophenyl)(phenyl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluoro-2-nitrophenyl)(phenyl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluoro-2-nitrophenyl)(phenyl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.