328090-49-9
Product Name:
4-ALLYL-5-(2-BROMO-PHENYL)-2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE
Formula:
C11H10BrN3S
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COMPUTED DESCRIPTORS
Molecular Weight | 296.19 g/mol |
---|---|
XLogP3 | 3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 294.97788 g/mol |
Monoisotopic Mass | 294.97788 g/mol |
Topological Polar Surface Area | 59.7 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 329 |
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 |