84728-50-7
Product Name:
4-Isothiazolecarboxylicacid,3-amino-5-(ethylthio)-(9CI)
Formula:
C6H8N2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 204.3 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 204.00271985 g/mol |
| Monoisotopic Mass | 204.00271985 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 179 |
| 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 |