1,3-Indandione, 2-hydroxy-2-methylthio-, acetate
TL;DR: 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate (CAS 13364-81-3) is a chemical compound with molecular formula C12H10O4S and molecular weight 250.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methylsulfanyl-1,3-dioxoinden-2-yl) acetate
Also Known As: (2-methylsulfanyl-1,3-dioxoinden-2-yl) acetate, 2-Hydroxy-2-methylthio-1,3-indandione acetate, 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate, 2-Acetoxy-2-(methylmercapto)indanedione-1,3, 2-Acetoxy-2-methylmercapto-indane-1,3-dione
Technical Specifications
| Molecular Formula | C12H10O4S |
| Molecular Weight | 250.02998 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.02998 Da |
| Heavy Atoms | 17 |
| Complexity | 353.0 |
| SMILES | CC(=O)OC1(C(=O)C2=CC=CC=C2C1=O)SC |
| InChIKey | SSPJZFOVUODOMH-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate
Property Insights of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate. Following Lipinski's Rule of Five, 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate?
The CAS number of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate is 13364-81-3.
What is the molecular formula of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate?
The molecular formula of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate is C12H10O4S.
What is the molecular weight of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate?
The molecular weight of 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate is 250.02998 g/mol.
Where can I buy 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate?
You can request a quote for 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate?
Yes, CoreyChem provides custom synthesis services for 1,3-Indandione, 2-hydroxy-2-methylthio-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.