337-47-3
Product Name:
5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative
Formula:
C12H16N2Na2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 277.34 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 277.09866828 g/mol |
| Monoisotopic Mass | 277.09866828 g/mol |
| Topological Polar Surface Area | 90.3 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 1 |
| Complexity | 346 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |