1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide
TL;DR: 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide (CAS 55715-59-8) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1-oxo-1,2-benzothiazol-3-imine
Also Known As: 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide, 1-methyl-1-oxo-1,2-benzothiazol-3-imine
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 55715-59-8 |
|---|---|
| SMILES | CS1(=NC(=N)C2=CC=CC=C21)=O |
| InChIKey | SYVKEUKDIGZLTE-UHFFFAOYSA-N |
Product Overview
1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide (CAS 55715-59-8), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: 1-methyl-1-oxo-1,2-benzothiazol-3-imine.
Chemical Property Profile of 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide
Property Insights of 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide. Following Lipinski's Rule of Five, 1-Methyl-3H-1,2-benzisothiazol-3-imine 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-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide?
The CAS number of 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide is 55715-59-8.
What is the molecular formula of 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide?
The molecular formula of 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide is C8H8N2OS.
What is the molecular weight of 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide?
The molecular weight of 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide is 180.04 g/mol.
Where can I buy 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide?
You can request a quote for 1-Methyl-3H-1,2-benzisothiazol-3-imine 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-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.