4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-
TL;DR: 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)- (CAS 112519-52-5) is a chemical compound with molecular formula C10H8O3S2 and molecular weight 239.99149 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfonylthiochromen-4-one
Also Known As: 2-methylsulfonylthiochromen-4-one, 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-, NCI60_006477, 2-(Methanesulfonyl)-4H-1-benzothiopyran-4-one
Technical Specifications
| Molecular Formula | C10H8O3S2 |
| Molecular Weight | 239.99149 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.99149 Da |
| Heavy Atoms | 15 |
| Complexity | 403.0 |
| SMILES | CS(=O)(=O)C1=CC(=O)C2=CC=CC=C2S1 |
| InChIKey | OOJMVHRMWQYPHX-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-
Property Insights of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-?
The CAS number of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)- is 112519-52-5.
What is the molecular formula of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-?
The molecular formula of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)- is C10H8O3S2.
What is the molecular weight of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-?
The molecular weight of 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)- is 239.99149 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-?
You can request a quote for 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-?
Yes, CoreyChem provides custom synthesis services for 4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.