15908-64-2
Product Name:
4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
Formula:
C12H9N3OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 243.29 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 243.04663309 g/mol |
| Monoisotopic Mass | 243.04663309 g/mol |
| Topological Polar Surface Area | 90.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 438 |
| 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 |