Benzene, 1-nitro-2-(phenylsulfinyl)-
TL;DR: Benzene, 1-nitro-2-(phenylsulfinyl)- (CAS 18739-95-2) is a chemical compound with molecular formula C12H9NO3S and molecular weight 247.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfinyl)-2-nitrobenzene
Also Known As: 2NO2Ph-SO-Ph, 2-nitrodiphenyl sulfoxide, Benzene, 1-nitro-2-(phenylsulfinyl)-, 1-(benzenesulfinyl)-2-nitrobenzene, 2-Nitrophenyl phenyl sulfoxide
| Molecular Formula | C12H9NO3S |
|---|---|
| Molecular Weight | 247.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.03032 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 18739-95-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | UQDQXWRDAPUTAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-nitro-2-(phenylsulfinyl)- (CAS 18739-95-2), with molecular formula C12H9NO3S and molecular weight 247.03 g/mol. IUPAC: 1-(benzenesulfinyl)-2-nitrobenzene.
Chemical Property Profile of Benzene, 1-nitro-2-(phenylsulfinyl)-
Property Insights of Benzene, 1-nitro-2-(phenylsulfinyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-nitro-2-(phenylsulfinyl)-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-nitro-2-(phenylsulfinyl)-. Following Lipinski's Rule of Five, Benzene, 1-nitro-2-(phenylsulfinyl)- 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 Benzene, 1-nitro-2-(phenylsulfinyl)-?
The CAS number of Benzene, 1-nitro-2-(phenylsulfinyl)- is 18739-95-2.
What is the molecular formula of Benzene, 1-nitro-2-(phenylsulfinyl)-?
The molecular formula of Benzene, 1-nitro-2-(phenylsulfinyl)- is C12H9NO3S.
What is the molecular weight of Benzene, 1-nitro-2-(phenylsulfinyl)-?
The molecular weight of Benzene, 1-nitro-2-(phenylsulfinyl)- is 247.03 g/mol.
Where can I buy Benzene, 1-nitro-2-(phenylsulfinyl)-?
You can request a quote for Benzene, 1-nitro-2-(phenylsulfinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-2-(phenylsulfinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-2-(phenylsulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.