3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile
TL;DR: 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile (CAS 61394-59-0) is a chemical compound with molecular formula C10H8N2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-2-oxo-1,3-dihydroindole-4-carbonitrile
Also Known As: 3-methylsulfanyl-2-oxo-1,3-dihydroindole-4-carbonitrile, 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile
| Molecular Formula | C10H8N2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.03574 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 61394-59-0 |
|---|---|
| SMILES | CSC1C2=C(C=CC=C2NC1=O)C#N |
| InChIKey | PLKFBNWDYFTNAE-UHFFFAOYSA-N |
Product Overview
3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile (CAS 61394-59-0), with molecular formula C10H8N2OS and molecular weight 204.04 g/mol. IUPAC: 3-methylsulfanyl-2-oxo-1,3-dihydroindole-4-carbonitrile.
Chemical Property Profile of 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile
Property Insights of 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile. Following Lipinski's Rule of Five, 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile has 1 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 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile?
The CAS number of 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile is 61394-59-0.
What is the molecular formula of 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile?
The molecular formula of 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile is C10H8N2OS.
What is the molecular weight of 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile?
The molecular weight of 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile is 204.04 g/mol.
Where can I buy 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile?
You can request a quote for 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.