3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one
TL;DR: 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one (CAS 40800-64-4) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-1,3-dihydroindol-2-one
Also Known As: 3-methylthiooxindole, 3-(Methylthio)indolin-2-one, 3-methylsulfanyl-2-oxindole, 3-methylsulfanyl-1,3-dihydroindol-2-one, 3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 40800-64-4 |
|---|---|
| SMILES | CSC1C2=CC=CC=C2NC1=O |
| InChIKey | JTNQDMOMSQTYFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one (CAS 40800-64-4), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 3-methylsulfanyl-1,3-dihydroindol-2-one.
Chemical Property Profile of 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one
Property Insights of 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one has 1 hydrogen bond donor(s) and 2 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-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one?
The CAS number of 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one is 40800-64-4.
What is the molecular formula of 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one?
The molecular formula of 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one is C9H9NOS.
What is the molecular weight of 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one?
The molecular weight of 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one is 179.04 g/mol.
Where can I buy 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one?
You can request a quote for 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfanyl)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.