110579-01-6
Product Name:
2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
Formula:
C6H6N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 198.21 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.02114662 g/mol |
| Monoisotopic Mass | 198.02114662 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 245 |
| 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 |