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1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione
TL;DR: 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione (CAS 54669-25-9) is a chemical compound with molecular formula C11H9NO2S and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylsulfanylphenyl)pyrrole-2,5-dione
Also Known As: 1-(2-methylthiophenyl)azoline-2,5-dione, BIM-0007090.P001, 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione, 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione, 1-(2-thiomethoxyphenyl)-1H-pyrrole-2,5-dione
| Molecular Formula | C11H9NO2S |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0354 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 54669-25-9 |
|---|---|
| SMILES | CSC1=CC=CC=C1N2C(=O)C=CC2=O |
| InChIKey | ORMUSUFZYXWOKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione (CAS 54669-25-9), with molecular formula C11H9NO2S and molecular weight 219.04 g/mol. IUPAC: 1-(2-methylsulfanylphenyl)pyrrole-2,5-dione.
Chemical Property Profile of 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione
Property Insights of 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione. Following Lipinski's Rule of Five, 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione 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-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione?
The CAS number of 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione is 54669-25-9.
What is the molecular formula of 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione?
The molecular formula of 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione is C11H9NO2S.
What is the molecular weight of 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione?
The molecular weight of 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione is 219.04 g/mol.
Where can I buy 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione?
You can request a quote for 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(methylthio)phenyl]-1H-pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.