2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl thiocyanate
Chemical Structure Depiction of
2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl thiocyanate
2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl thiocyanate
Compound characteristics
| Compound ID: | 3535-0302 |
| Compound Name: | 2-oxo-2-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl thiocyanate |
| Molecular Weight: | 378.55 |
| Molecular Formula: | C16 H14 N2 O S4 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CSC#N)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.5837 |
| logD: | 3.5837 |
| logSw: | -3.84 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 31.975 |
| InChI Key: | UGIWWSSBXHWYGF-UHFFFAOYSA-N |