1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide
TL;DR: 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide (CAS 68334-66-7) is a chemical compound with molecular formula C7H5NO6S2 and molecular weight 262.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3-trioxo-1,2-benzothiazole-4-sulfonic acid
Also Known As: 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide, 1,1,3-trioxo-1,2-benzothiazole-4-sulfonic acid, 3-oxo-2,3-dihydro-1,2-benzothiazole-4-sulfonic acid 1,1-dioxide, 2,3-Dihydro-3-oxo-1,2-benzisothiazole-4-sulfonic acid 1,1-dioxide, 1,1,3-Trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-4-sulfonic acid
| Molecular Formula | C7H5NO6S2 |
|---|---|
| Molecular Weight | 262.96 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.95584 |
| Heavy Atoms | 16 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 68334-66-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)NS2(=O)=O |
| InChIKey | YTFXRXPSWMORAW-UHFFFAOYSA-N |
Product Overview
1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide (CAS 68334-66-7), with molecular formula C7H5NO6S2 and molecular weight 262.96 g/mol. IUPAC: 1,1,3-trioxo-1,2-benzothiazole-4-sulfonic acid.
Chemical Property Profile of 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide
Property Insights of 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide
The XLogP value of -0.8 indicates that 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide has 2 hydrogen bond donor(s) and 6 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 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide is 68334-66-7.
What is the molecular formula of 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide is C7H5NO6S2.
What is the molecular weight of 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide is 262.96 g/mol.
Where can I buy 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole-4-sulfonic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.