733795-51-2
Product Name:
Benzoic acid, 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-
Formula:
C14H14N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 274.34 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 274.07759887 g/mol |
| Monoisotopic Mass | 274.07759887 g/mol |
| Topological Polar Surface Area | 88.4 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 304 |
| 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 |