82955-23-5
Product Name:
3-(2-THIENYL)-1,4,6-TRIAZATRICYCLO[6.2.2.0(2,7)]DODEC-2(7)-ENE-5-THIONE
Formula:
C13H15N3S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 277.4 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 277.07073984 g/mol |
| Monoisotopic Mass | 277.07073984 g/mol |
| Topological Polar Surface Area | 87.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 413 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |