1,2-benzisothiazol-3(2H)-one 1-oxide
TL;DR: 1,2-benzisothiazol-3(2H)-one 1-oxide (CAS 14599-38-3) is a chemical compound with molecular formula C7H5NO2S and molecular weight 167.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-1,2-benzothiazol-3-one
Also Known As: 1,2-benzisothiazol-3(2H)-one 1-oxide, 1-oxo-1,2-benzothiazol-3-one, 1,2-benzisothiazol-3(2H)-one, 1-oxide, 1,2-Benzisothiazolin-3-one 1-Oxide, 1,2-benzoisothiazol-3-one 1-oxide
| Molecular Formula | C7H5NO2S |
|---|---|
| Molecular Weight | 167.00 g/mol |
| LogP | 0.4526 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0041 |
| Heavy Atoms | 11 |
| Complexity | 315.04874 |
Chemical Identifiers
| CAS Number | 14599-38-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NS2=O |
Product Overview
1,2-benzisothiazol-3(2H)-one 1-oxide (CAS 14599-38-3), with molecular formula C7H5NO2S and molecular weight 167.00 g/mol. IUPAC: 1-oxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,2-benzisothiazol-3(2H)-one 1-oxide
Property Insights of 1,2-benzisothiazol-3(2H)-one 1-oxide
The XLogP value of 0.4526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-benzisothiazol-3(2H)-one 1-oxide. With a topological polar surface area (TPSA) of 46.17 Ų, 1,2-benzisothiazol-3(2H)-one 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-benzisothiazol-3(2H)-one 1-oxide has 1 hydrogen bond donor(s) and 2 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-oxide?
The CAS number of 1,2-benzisothiazol-3(2H)-one 1-oxide is 14599-38-3.
What is the molecular formula of 1,2-benzisothiazol-3(2H)-one 1-oxide?
The molecular formula of 1,2-benzisothiazol-3(2H)-one 1-oxide is C7H5NO2S.
What is the molecular weight of 1,2-benzisothiazol-3(2H)-one 1-oxide?
The molecular weight of 1,2-benzisothiazol-3(2H)-one 1-oxide is 167.00 g/mol.
Where can I buy 1,2-benzisothiazol-3(2H)-one 1-oxide?
You can request a quote for 1,2-benzisothiazol-3(2H)-one 1-oxide 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-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-benzisothiazol-3(2H)-one 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.