9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide
TL;DR: 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide (CAS 51762-94-8) is a chemical compound with molecular formula C14H7NO3S and molecular weight 269.01468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,10,10-trioxothioxanthene-3-carbonitrile
Also Known As: 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide, 9,10,10-trioxothioxanthene-3-carbonitrile, 3-cyanothioxanthone-10,10-dioxide, 3-CYANOTHIOXANTHONE 10,10-DIOXIDE, 3-cyanothioxanthen-9-one 10,10-dioxide
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H7NO3S |
| Molecular Weight | 269.01468 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.01468 Da |
| Heavy Atoms | 19 |
| Complexity | 539.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C#N |
| InChIKey | KFTPXAFBDZWJNK-UHFFFAOYSA-N |
Chemical Property Profile of 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide
Property Insights of 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide. Following Lipinski's Rule of Five, 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide 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 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide?
The CAS number of 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide is 51762-94-8.
What is the molecular formula of 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide?
The molecular formula of 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide is C14H7NO3S.
What is the molecular weight of 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide?
The molecular weight of 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide is 269.01468 g/mol.
Where can I buy 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide?
You can request a quote for 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide?
Yes, CoreyChem provides custom synthesis services for 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.