878477-23-7
Product Name:
4-Isothiazolecarboxylic acid, 3-[(methoxycarbonyl)oxy]-5-(methylthio)-, methyl ester
Formula:
C8H9NO5S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 263.3 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 262.99221473 g/mol |
| Monoisotopic Mass | 262.99221473 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275 |
| 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 |