172516-35-7
Product Name:
ETHYL 3-(BENZYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
Formula:
C18H18O3S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 346.5 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 346.06973678 g/mol |
| Monoisotopic Mass | 346.06973678 g/mol |
| Topological Polar Surface Area | 96.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 434 |
| 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 |