2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl thiocyanate
Chemical Structure Depiction of
2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl thiocyanate
2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl thiocyanate
Compound characteristics
| Compound ID: | 3535-0301 |
| Compound Name: | 2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl thiocyanate |
| Molecular Weight: | 408.58 |
| Molecular Formula: | C17 H16 N2 O2 S4 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CSC#N)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.6801 |
| logD: | 3.6801 |
| logSw: | -4.0009 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 39.099 |
| InChI Key: | MHNLBQJRFRWFAR-UHFFFAOYSA-N |