175202-70-7
Product Name:
3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
Formula:
C13H15NOS2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 265.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 265.05950645 g/mol |
| Monoisotopic Mass | 265.05950645 g/mol |
| Topological Polar Surface Area | 94.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 371 |
| 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 |