1-(Methylthio)-3-nitrobenzene
TL;DR: 1-(Methylthio)-3-nitrobenzene (CAS 2524-76-7) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-3-nitrobenzene
Also Known As: 3-Nitrothioanisole, 3-NITRO THIOANISOLE, 1-(Methylthio)-3-nitrobenzene, Thioanisole, Methyl(3-nitrophenyl)sulfane
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 2524-76-7 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | GBGVXOUUXAIELM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Methylthio)-3-nitrobenzene (CAS 2524-76-7), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: 1-methylsulfanyl-3-nitrobenzene.
Chemical Property Profile of 1-(Methylthio)-3-nitrobenzene
Property Insights of 1-(Methylthio)-3-nitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylthio)-3-nitrobenzene. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methylthio)-3-nitrobenzene. Following Lipinski's Rule of Five, 1-(Methylthio)-3-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-(Methylthio)-3-nitrobenzene?
The CAS number of 1-(Methylthio)-3-nitrobenzene is 2524-76-7.
What is the molecular formula of 1-(Methylthio)-3-nitrobenzene?
The molecular formula of 1-(Methylthio)-3-nitrobenzene is C7H7NO2S.
What is the molecular weight of 1-(Methylthio)-3-nitrobenzene?
The molecular weight of 1-(Methylthio)-3-nitrobenzene is 169.02 g/mol.
Where can I buy 1-(Methylthio)-3-nitrobenzene?
You can request a quote for 1-(Methylthio)-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylthio)-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylthio)-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.