3H-Indol-3-one, 2-(methylthio)-
TL;DR: 3H-Indol-3-one, 2-(methylthio)- (CAS 35524-66-4) is a chemical compound with molecular formula C9H7NOS and molecular weight 177.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylindol-3-one
Also Known As: 2- -3H-indol-3-one, 2-methylsulfanylindol-3-one, 3H-Indol-3-one, 2-(methylthio)-, 2-(Methylthio)-3H-indol-3-one, 2-(Methylsulfanyl)-3H-indol-3-one
| Molecular Formula | C9H7NOS |
|---|---|
| Molecular Weight | 177.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.02484 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 35524-66-4 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2C1=O |
| InChIKey | OFSIROMTLBHYCO-UHFFFAOYSA-N |
Product Overview
3H-Indol-3-one, 2-(methylthio)- (CAS 35524-66-4), with molecular formula C9H7NOS and molecular weight 177.02 g/mol. IUPAC: 2-methylsulfanylindol-3-one.
Chemical Property Profile of 3H-Indol-3-one, 2-(methylthio)-
Property Insights of 3H-Indol-3-one, 2-(methylthio)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Indol-3-one, 2-(methylthio)-. With a topological polar surface area (TPSA) of 54.7 Ų, 3H-Indol-3-one, 2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Indol-3-one, 2-(methylthio)- 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 3H-Indol-3-one, 2-(methylthio)-?
The CAS number of 3H-Indol-3-one, 2-(methylthio)- is 35524-66-4.
What is the molecular formula of 3H-Indol-3-one, 2-(methylthio)-?
The molecular formula of 3H-Indol-3-one, 2-(methylthio)- is C9H7NOS.
What is the molecular weight of 3H-Indol-3-one, 2-(methylthio)-?
The molecular weight of 3H-Indol-3-one, 2-(methylthio)- is 177.02 g/mol.
Where can I buy 3H-Indol-3-one, 2-(methylthio)-?
You can request a quote for 3H-Indol-3-one, 2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Indol-3-one, 2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Indol-3-one, 2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.