1024742-87-7
Product Name:
3-(METHYLAMINO)-2-((4-METHYLPHENYL)SULFONYL)-3-METHYLTHIOPROP-2-ENENITRILE
Formula:
C12H14N2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 282.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 282.04967004 g/mol |
| Monoisotopic Mass | 282.04967004 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 460 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |