869716-11-0
Product Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-[(tetrahydro-1,1-dioxido-3-thienyl)methyl]-
Formula:
C8H13N3O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 247.3 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.04491901 g/mol |
| Monoisotopic Mass | 247.04491901 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 410 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |