1047724-30-0
Product Name:
2-((4-METHYLPHENYL)SULFONYL)-3-(PHENYLAMINO)-3-SULFANYLPROP-2-ENENITRILE
Formula:
C16H14N2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 330.4 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 330.04967004 g/mol |
| Monoisotopic Mass | 330.04967004 g/mol |
| Topological Polar Surface Area | 79.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 555 |
| 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 |