96750-38-8
Product Name:
3-amino-5-[(cyanomethyl)sulfanyl]-4-phenyl-2-thiophenecarbonitrile
Formula:
C13H9N3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 271.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 271.02378965 g/mol |
| Monoisotopic Mass | 271.02378965 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 18 |
| 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 |