2514-30-9
Product Name:
2 - (4 - Methylphenyl) - 1,2 - benzisothiazol - 3(2H)-one
Formula:
C14H11NOS
Synonyms:
2-(4-Methylphenyl)-1,2-benzisothiazol-3(2H)-one; 2-(4-Methylphenyl)-2,3-dihydrobenzisothiazol-3-one;2-p-Tolyl-1,2-benzisothiazolin-3-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 9.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 241.31 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 241.05613515 g/mol |
| Monoisotopic Mass | 241.05613515 g/mol |
| Topological Polar Surface Area | 45.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 299 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |