1,2-Benzisothiazol-3-amine 1,1-dioxide
TL;DR: 1,2-Benzisothiazol-3-amine 1,1-dioxide (CAS 7668-28-2) is a chemical compound with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: 3-Iminosaccharin, 3-Aminobenzo[d]isothiazole 1,1-dioxide, 1,2-benzisothiazol-3-amine 1,1-dioxide, saccharin imide, 1, 1,1-dioxide
| Molecular Formula | C7H6N2O2S |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.015 |
| Heavy Atoms | 12 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 7668-28-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)N |
| InChIKey | QNOQSOJREDRYBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisothiazol-3-amine 1,1-dioxide (CAS 7668-28-2), with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol. IUPAC: 1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of 1,2-Benzisothiazol-3-amine 1,1-dioxide
Property Insights of 1,2-Benzisothiazol-3-amine 1,1-dioxide
The XLogP value of -0.2 indicates that 1,2-Benzisothiazol-3-amine 1,1-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazol-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazol-3-amine 1,1-dioxide has 1 hydrogen bond donor(s) and 3 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-Benzisothiazol-3-amine 1,1-dioxide?
The CAS number of 1,2-Benzisothiazol-3-amine 1,1-dioxide is 7668-28-2.
What is the molecular formula of 1,2-Benzisothiazol-3-amine 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazol-3-amine 1,1-dioxide is C7H6N2O2S.
What is the molecular weight of 1,2-Benzisothiazol-3-amine 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazol-3-amine 1,1-dioxide is 182.01 g/mol.
Where can I buy 1,2-Benzisothiazol-3-amine 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazol-3-amine 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-Benzisothiazol-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazol-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.