1-(Methylsulfinyl)-4-nitrobenzene
TL;DR: 1-(Methylsulfinyl)-4-nitrobenzene (CAS 20054-85-7) is a chemical compound with molecular formula C7H7NO3S and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfinyl-4-nitrobenzene
Also Known As: 1-(Methylsulfinyl)-4-nitrobenzene, 1-methylsulfinyl-4-nitrobenzene, 4-Nitrophenyl sulfoxide, 1-methylsulfinyl-4-nitro-benzene, Methyl 4-nitrophenyl sulfoxide
| Molecular Formula | C7H7NO3S |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.01466 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 20054-85-7 |
|---|---|
| SMILES | CS(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MLTFFVSGGPGNSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Methylsulfinyl)-4-nitrobenzene (CAS 20054-85-7), with molecular formula C7H7NO3S and molecular weight 185.01 g/mol. IUPAC: 1-methylsulfinyl-4-nitrobenzene.
Chemical Property Profile of 1-(Methylsulfinyl)-4-nitrobenzene
Property Insights of 1-(Methylsulfinyl)-4-nitrobenzene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylsulfinyl)-4-nitrobenzene. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methylsulfinyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(Methylsulfinyl)-4-nitrobenzene 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 1-(Methylsulfinyl)-4-nitrobenzene?
The CAS number of 1-(Methylsulfinyl)-4-nitrobenzene is 20054-85-7.
What is the molecular formula of 1-(Methylsulfinyl)-4-nitrobenzene?
The molecular formula of 1-(Methylsulfinyl)-4-nitrobenzene is C7H7NO3S.
What is the molecular weight of 1-(Methylsulfinyl)-4-nitrobenzene?
The molecular weight of 1-(Methylsulfinyl)-4-nitrobenzene is 185.01 g/mol.
Where can I buy 1-(Methylsulfinyl)-4-nitrobenzene?
You can request a quote for 1-(Methylsulfinyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylsulfinyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylsulfinyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.