307327-60-2
Product Name:
4-(2-METHYL-ALLYL)-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula:
C11H12N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 232.31 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 232.07826757 g/mol |
| Monoisotopic Mass | 232.07826757 g/mol |
| Topological Polar Surface Area | 72.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 331 |
| 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 |