2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 13947-20-1) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.00958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: N-HYDROXYMETHYLSACCHARIN, 2-hydroxymethylsaccharin, N-(Hydroxymethyl)saccarin, N-(Hydroxymethyl)saccharin, NCIOpen2_004733
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO4S |
| Molecular Weight | 213.00958 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.00958 Da |
| Heavy Atoms | 14 |
| Complexity | 345.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CO |
| InChIKey | PZWPTWZDBJUEMM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide has 1 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 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 13947-20-1.
What is the molecular formula of 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is C8H7NO4S.
What is the molecular weight of 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 213.00958 g/mol.
Where can I buy 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 2-(Hydroxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.