1,3-Indandione, 2-hydroxy-2-methylthio-
TL;DR: 1,3-Indandione, 2-hydroxy-2-methylthio- (CAS 5813-25-2) is a chemical compound with molecular formula C10H8O3S and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-methylsulfanylindene-1,3-dione
Also Known As: 2-Hydroxy-2-methylthio-1,3-indandione, 1,3-Indandione, 2-hydroxy-2-methylthio-, 2-Hydroxy-2-(methylmercapto)indanedione-1,3, 2-hydroxy-2-methylsulfanylindene-1,3-dione, 2-Hydroxy-2-methylthio-1,3-indanedione
| Molecular Formula | C10H8O3S |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.01941 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 5813-25-2 |
|---|---|
| SMILES | CSC1(C(=O)C2=CC=CC=C2C1=O)O |
| InChIKey | NEACRYAKYIBGSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Indandione, 2-hydroxy-2-methylthio- (CAS 5813-25-2), with molecular formula C10H8O3S and molecular weight 208.02 g/mol. IUPAC: 2-hydroxy-2-methylsulfanylindene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-hydroxy-2-methylthio-
Property Insights of 1,3-Indandione, 2-hydroxy-2-methylthio-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Indandione, 2-hydroxy-2-methylthio-. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Indandione, 2-hydroxy-2-methylthio-. Following Lipinski's Rule of Five, 1,3-Indandione, 2-hydroxy-2-methylthio- 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 1,3-Indandione, 2-hydroxy-2-methylthio-?
The CAS number of 1,3-Indandione, 2-hydroxy-2-methylthio- is 5813-25-2.
What is the molecular formula of 1,3-Indandione, 2-hydroxy-2-methylthio-?
The molecular formula of 1,3-Indandione, 2-hydroxy-2-methylthio- is C10H8O3S.
What is the molecular weight of 1,3-Indandione, 2-hydroxy-2-methylthio-?
The molecular weight of 1,3-Indandione, 2-hydroxy-2-methylthio- is 208.02 g/mol.
Where can I buy 1,3-Indandione, 2-hydroxy-2-methylthio-?
You can request a quote for 1,3-Indandione, 2-hydroxy-2-methylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-hydroxy-2-methylthio-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-hydroxy-2-methylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.