2-(8-methoxy-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-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl thiocyanate
2-(8-methoxy-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: | 3391-6950 |
| Compound Name: | 2-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl thiocyanate |
| Molecular Weight: | 394.55 |
| Molecular Formula: | C16 H14 N2 O2 S4 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2cc(ccc2N1C(CSC#N)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2926 |
| logD: | 3.2926 |
| logSw: | -3.756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 39.519 |
| InChI Key: | PXTDYLSWTLYZCX-UHFFFAOYSA-N |