3-Methylthio-5-nitrooxindole
TL;DR: 3-Methylthio-5-nitrooxindole (CAS 40800-69-9) is a chemical compound with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-nitro-1,3-dihydroindol-2-one
Also Known As: 3-methylthio-5-nitrooxindole, 3-(Methylthio)-5-nitroindoline-2-one, J3.493.139I, 3-methylsulfanyl-5-nitro-1,3-dihydroindol-2-one, 3-(methylsulfanyl)-5-nitro-2,3-dihydro-1H-indol-2-one
| Molecular Formula | C9H8N2O3S |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02556 |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 40800-69-9 |
|---|---|
| SMILES | CSC1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O |
| InChIKey | PJHFXDUFTXOAMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylthio-5-nitrooxindole (CAS 40800-69-9), with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol. IUPAC: 3-methylsulfanyl-5-nitro-1,3-dihydroindol-2-one.
Chemical Property Profile of 3-Methylthio-5-nitrooxindole
Property Insights of 3-Methylthio-5-nitrooxindole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylthio-5-nitrooxindole. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylthio-5-nitrooxindole. Following Lipinski's Rule of Five, 3-Methylthio-5-nitrooxindole has 1 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 3-Methylthio-5-nitrooxindole?
The CAS number of 3-Methylthio-5-nitrooxindole is 40800-69-9.
What is the molecular formula of 3-Methylthio-5-nitrooxindole?
The molecular formula of 3-Methylthio-5-nitrooxindole is C9H8N2O3S.
What is the molecular weight of 3-Methylthio-5-nitrooxindole?
The molecular weight of 3-Methylthio-5-nitrooxindole is 224.03 g/mol.
Where can I buy 3-Methylthio-5-nitrooxindole?
You can request a quote for 3-Methylthio-5-nitrooxindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylthio-5-nitrooxindole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylthio-5-nitrooxindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.