110623-40-0
Product Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-d imethyl-
Formula:
C11H11N3O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 249.29 g/mol |
---|---|
XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 249.05719778 g/mol |
Monoisotopic Mass | 249.05719778 g/mol |
Topological Polar Surface Area | 69.4 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 374 |
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 |