5-Aminosaccharin
TL;DR: 5-Aminosaccharin (CAS 22094-61-7) is a chemical compound with molecular formula C7H6N2O3S and molecular weight 198.00992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 5-Aminosaccharin, 5-Amino-saccharin, 5-amino-2,3-dihydro-1, 5-Aminobenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 5-Amino-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N2O3S |
| Molecular Weight | 198.00992 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.00992 Da |
| Heavy Atoms | 13 |
| Complexity | 332.0 |
| SMILES | C1=CC2=C(C=C1N)C(=O)NS2(=O)=O |
| InChIKey | XHLASMNHDRLNJQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Aminosaccharin
Property Insights of 5-Aminosaccharin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Aminosaccharin. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Aminosaccharin. Following Lipinski's Rule of Five, 5-Aminosaccharin has 2 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 5-Aminosaccharin?
The CAS number of 5-Aminosaccharin is 22094-61-7.
What is the molecular formula of 5-Aminosaccharin?
The molecular formula of 5-Aminosaccharin is C7H6N2O3S.
What is the molecular weight of 5-Aminosaccharin?
The molecular weight of 5-Aminosaccharin is 198.00992 g/mol.
Where can I buy 5-Aminosaccharin?
You can request a quote for 5-Aminosaccharin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Aminosaccharin?
Yes, CoreyChem provides custom synthesis services for 5-Aminosaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.