1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one
Chemical Structure Depiction of
1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one
1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one
Compound characteristics
| Compound ID: | 3389-0693 |
| Compound Name: | 1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one |
| Molecular Weight: | 363.56 |
| Molecular Formula: | C18 H21 N O S3 |
| Smiles: | CCCCC(N1c2ccc(C)cc2C2=C(C1(C)C)SSC2=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8694 |
| logD: | 4.8694 |
| logSw: | -4.6439 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 14.1785 |
| InChI Key: | XMUHLDXXUCVEJT-UHFFFAOYSA-N |