1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
TL;DR: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS 856107-05-6) is a chemical compound with molecular formula C7H6NNaO4S and molecular weight 222.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;hydrate
Also Known As: Sodium saccharin hydrate, Saccharin sodium salt hydrate, Saccharin, sodium salt hydrate, Saccharin sodium monohydrate, Saccharin sodium hydrate
| Molecular Formula | C7H6NNaO4S |
|---|---|
| Molecular Weight | 222.99 g/mol |
| LogP | -2.9179 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.99152 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 856107-05-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.O.[Na+] |
| InChIKey | ILJOYZVVZZFIKA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (CAS 856107-05-6), with molecular formula C7H6NNaO4S and molecular weight 222.99 g/mol. IUPAC: sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one;hydrate.
Chemical Property Profile of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
Property Insights of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
The XLogP value of -2.9179 indicates that 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate. Following Lipinski's Rule of Five, 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate has 1 hydrogen bond donor(s) and 5 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(2H)-one, 1,1-dioxide, sodium salt, hydrate?
The CAS number of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate is 856107-05-6.
What is the molecular formula of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate?
The molecular formula of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate is C7H6NNaO4S.
What is the molecular weight of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate?
The molecular weight of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate is 222.99 g/mol.
Where can I buy 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate?
You can request a quote for 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate 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(2H)-one, 1,1-dioxide, sodium salt, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.