588674-76-4
Product Name:
3H-1,2,4-Triazole-3-thione,5-(5-ethyl-3-thienyl)-2,4-dihydro-4-methyl-(9CI)
Formula:
C9H11N3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 225.3 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 225.03943971 g/mol |
| Monoisotopic Mass | 225.03943971 g/mol |
| Topological Polar Surface Area | 88 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 277 |
| 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 |