340829-40-5
Product Name:
3H-1,2,4-Triazol-3-one,5-(butylthio)-4-ethyl-2,4-dihydro-(9CI)
Formula:
C8H15N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 201.29 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 201.09358328 g/mol |
| Monoisotopic Mass | 201.09358328 g/mol |
| Topological Polar Surface Area | 70 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 217 |
| 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 |